SCHEMBL8799386

SCHEMBL8799386

Nc1nccc(C(=O)Cc2ccccc2Cl)c1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.44
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CTBP2 P56545 1/20 0.38
CNR2 P34972 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK8 P45983 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL8805065 0.90 SHBG (0.44) SHBGPKMCASP3SENP8SENP7
SCHEMBL7546276 0.86 MEN1 (0.45) SHBGKMT2AALDH1A1KDM4ECTBP2
SCHEMBL7548003 0.82 SHBG (0.44) SHBGPKMCASP3SENP8SENP7
SCHEMBL8800986 0.78 RECQL (0.48) PKMKMT2AALDH1A1NPC1RAB9A
SCHEMBL7548395 0.77 ALOX5 (0.38) PKMNPC1RAB9ASMN1; SMN2
SCHEMBL7549390 0.76 ALDH1A1 (0.50) KMT2AALDH1A1MEN1CYP3A4
SCHEMBL7600813 0.76
SCHEMBL9059987 0.74 SGMS2 (0.35) SHBGKMT2AKDM4EMAPK1MEN1
SCHEMBL7547894 0.74 MAPT (0.46) SHBGKMT2AALDH1A1KDM4ECTBP2
SCHEMBL7546252 0.72 TDP1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed