SCHEMBL7864372

SCHEMBL7864372

Nc1cccc(Cl)c1-c1ccccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
PTPRC P08575 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
SENP7 Q9BQF6 1/20 0.38
NR4A2 P43354 1/20 0.37
FGR P09769 1/20 0.37
PIM1 P11309 1/20 0.37
MAOA P21397 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
DYRK1A Q13627 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37

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
SCHEMBL10718432 0.87 TDP1 (0.48) ADORA2AALDH1A1KMT2AMEN1LMNA
SCHEMBL22046775 0.86 ALDH1A1 (0.42) ADORA2AALDH1A1KMT2AMEN1KDM4E
SCHEMBL3880759 0.85 ADORA2A (0.47) ADORA2AALDH1A1KMT2AMEN1KDM4E
SCHEMBL6535649 0.85 TDP1 (0.46) ADORA2AALDH1A1KMT2AMEN1LMNA
SCHEMBL2934610 0.79 TRIM24 (0.52) ADORA2AALDH1A1KMT2AMEN1KDM4E
SCHEMBL30562809 0.79 TSHR (0.54) ADORA2AALDH1A1KMT2AMEN1KDM4E
SCHEMBL11327375 0.79 TDP1 (0.43) ADORA2AALDH1A1KMT2AMEN1LMNA
SCHEMBL10533695 0.78 TDP1 (0.46) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL18167321 0.77 ALDH1A1 (0.41) ADORA2AALDH1A1KMT2AMEN1KDM4E
SCHEMBL31134108 0.76 PDK2 (0.37) ALDH1A1KMT2AMEN1LMNATDP1

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
EP-0789701-B1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2001-02-07 EP disclosed
EP-0789701-A1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-20 EP disclosed
US-5552399-A TREATMENT OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-03 US disclosed
WO-1996014320-A1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-17 WO disclosed