SCHEMBL10996751

SCHEMBL10996751

CC(C)(C)OC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
NR1D1 P20393 1/20 0.53
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAOB P27338 1/20 0.48
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL4435225 0.86 MAPT (0.52) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1578801 0.86 ALDH1A1 (0.49) MAPTNR1D1ALDH1A1MEN1KMT2A
SCHEMBL11794354 0.85 ALDH1A1 (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30796999 0.84 TSHR (0.51) MAPTNR1D1ALDH1A1LMNATSHR
SCHEMBL7398331 0.84 ALDH1A1 (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9710538 0.82 MAPT (0.55) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6676703 0.82 MAPT (0.55) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL12526277 0.82 NR1D1 (0.49) MAPTNR1D1ALDH1A1LMNAHTT
SCHEMBL521069 0.81 MAPT (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL388383 0.81 MAPT (0.51) MAPTALDH1A1LMNAMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
CN-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 CN disclosed
WO-2022058548-A1 MOLECULES WITH SOLUBILITY TAG AND RELATED METHODS MERCK PATENT GMBH (DE) 2022-03-24 WO disclosed
CN-110818641-A Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2020-02-21 CN disclosed
US-4520007-A Anti-coagulants of the 4-hydroxycoumarin type and rodenticidal compositions (baits) comprising such anti-coagulants SHELL OIL COMPANY (US) 1985-05-28 US disclosed
EP-0098629-A1 Anti-coagulants of the 4-hydroxycoumarin type, the preparation thereof, and rodenticidal compositions (baits) comprising such anti-coagulants SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-01-18 EP disclosed