SCHEMBL7403712

SCHEMBL7403712

CC(C)CC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.67
LMNA P02545 3/20 0.59
HPGD P15428 1/20 0.59
MAPT P10636 2/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RORC P51449 2/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
GAA P10253 1/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
NLRP3 Q96P20 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL21765873 0.86 PTPN1 (0.88) PTPN1LMNAHPGDMAPTMAPK1
SCHEMBL15899399 0.84 RORC (0.58) PTPN1LMNAHPGDMAPTMAPK1
SCHEMBL15899267 0.83 RORC (0.54) PTPN1LMNAMAPTMAPK1RAB9A
SCHEMBL15899557 0.82 RORC (0.53) PTPN1LMNAMAPTMAPK1RAB9A
SCHEMBL15899330 0.82 RORC (0.56) PTPN1LMNAMAPTMAPK1RAB9A
SCHEMBL20941638 0.82 SAE1 (0.62) LMNAMAPTMAPK1RAB9ASAE1
SCHEMBL1706250 0.81 LMNA (0.62) PTPN1LMNAHPGDMAPTMAPK1
SCHEMBL14266363 0.81 SAE1 (0.57) LMNAHPGDMAPTMAPK1RAB9A
SCHEMBL20942591 0.80 F2R (0.50) LMNAMAPTMAPK1RAB9ARORC
SCHEMBL11260465 0.79 MAPT (0.57) LMNAMAPTMAPK1RAB9ASAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097921-A1 Phenylhydrazines SANOFI-SYNTHELABO (FR) 2001-05-09 EP disclosed
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US 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
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