SCHEMBL7415475

SCHEMBL7415475

O=C1c2c(c3ccccc3[nH]c2=O)C(=O)N1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
PARP1 P09874 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
TNKS O95271 1/20 0.47
CYP1A2 P05177 1/20 0.47
GPR3 P46089 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP15 Q460N3 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PDE9A O76083 1/20 0.45
HTT P42858 2/20 0.44
PDE7A Q13946 1/20 0.44
PDE7B Q9NP56 1/20 0.44

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
SCHEMBL7412697 0.88 ADORA3 (0.51) MAPTKDM4EALDH1A1PARP1LMNA
SCHEMBL7407990 0.88 MAPK14 (0.53) MAPTKDM4EALDH1A1PARP1LMNA
SCHEMBL7409290 0.88 MAPK14 (0.53) MAPTKDM4EALDH1A1PARP1LMNA
SCHEMBL7410394 0.84 ADORA3 (0.54) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL7414758 0.84 HTT (0.54) MAPTKDM4EPARP1HSD17B10HTT
SCHEMBL7415160 0.84 ADORA3 (0.54) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL7418663 0.84 ADORA3 (0.54) MAPTKDM4EALDH1A1PARP1LMNA
SCHEMBL7415495 0.82 KDM4E (0.40) MAPTKDM4EALDH1A1PARP1LMNA
SCHEMBL7413449 0.82 ADORA3 (0.56) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL8318191 0.79 PRKCA (0.67) MAPTMEN1KMT2ANQO1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243049-A Gamma-aminobutyric acid antagonist NEUROGEN CORPORATION (US) 1993-09-07 US claimed
US-5908932-A Certain pyrroloquinolinones; a new class of GABA brain receptor NEUROGEN CORPORATION (US) 1999-06-01 US disclosed
US-5604235-A DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, BENZODIAZEPINE OVERDOSE; ENHANCEMENT OF MEMORY NEUROGEN CORPORATION (US) 1997-02-18 US disclosed
WO-1994026741-A1 CERTAIN PYRROLOQUINOLINONES; A NEW CLASS OF GABE BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-24 WO disclosed