SCHEMBL2767396

SCHEMBL2767396

Cc1cc(C(N)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.72
PARP1 P09874 1/20 0.60
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 3/20 0.52
MGAM O43451 1/20 0.52
AMY1A P0DUB6 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
PKM P14618 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28246792 0.87 TSHR (0.59) TSHRPARP1ALDH1A1LMNASMN1; SMN2
SCHEMBL30686023 0.86 TSHR (0.72) TSHRPARP1ALDH1A1LMNASMN1; SMN2
SCHEMBL1086346 0.86 TSHR (0.72) TSHRPARP1ALDH1A1LMNASMN1; SMN2
SCHEMBL28050912 0.85 TSHR (0.77) TSHRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8147331 0.84 TSHR (0.65) TSHRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL2889619 0.84 TSHR (0.65) TSHRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1026131 0.84 TSHR (0.74) TSHRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL264768 0.84 TSHR (1.00) TSHRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1254186 0.83 PARP1 (0.71) TSHRPARP1ALDH1A1LMNASMN1; SMN2
SCHEMBL8094894 0.82 TSHR (0.72) TSHRALDH1A1SMN1; SMN2MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917288-A 7, 9-dihydro purine derivative and pharmaceutical application thereof 成都赜灵生物医药科技有限公司 2023-10-20 CN disclosed
WO-2022199547-A1 7,9-DIHYDROPURINE DERIVATIVE AND PHARMACEUTICAL PURPOSE THEREOF 成都赜灵生物医药科技有限公司 2022-09-29 WO disclosed
CN-113387823-B Anthranilic acid and derivative thereof, and synthetic method and application thereof 华东师范大学 2022-07-08 CN disclosed
CN-113387823-A Anthranilic acid and derivative thereof, and synthetic method and application thereof 华东师范大学 2021-09-14 CN disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
WO-2014172871-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 WO disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
CN-1184469-A 1-phenyl-3-pyrazolecarboxamides active on neurotensin receptors SANOFI SA (FR) 1998-06-10 CN disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed