SCHEMBL8320381

SCHEMBL8320381

COc1cc2cc3c(ccc4cc(Cl)ccc43)nc2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AMY1A P0DUB6 4/20 0.41
TNF P01375 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAT2A P31153 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
PDGFRB P09619 3/20 0.39
PDGFRA P16234 3/20 0.39
SRC P12931 3/20 0.39
FLT1 P17948 1/20 0.37
KDR P35968 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
SCHEMBL8317211 0.84 NQO2 (0.48) NQO2KDM4EALDH1A1SMN1; SMN2PDGFRB
SCHEMBL12068383 0.81 KDM4E (0.50) NQO2KDM4EALDH1A1SMN1; SMN2AMY1A
SCHEMBL8324287 0.80 NQO2 (0.58) NQO2KDM4EALDH1A1SMN1; SMN2PDGFRB
SCHEMBL1428347 0.73 KDM4E (0.44) KDM4EALDH1A1AMY1ATSHRMAPK1
SCHEMBL12074846 0.72 NQO2 (0.40) NQO2KDM4EALDH1A1SMN1; SMN2PDGFRB
SCHEMBL14906874 0.71 NQO2 (0.39) NQO2KDM4EALDH1A1TSHRCASP1
SCHEMBL8318316 0.71 TLR8 (0.54) NQO2KDM4EALDH1A1SMN1; SMN2PDGFRB
SCHEMBL9755422 0.71 NQO2 (0.60) NQO2KDM4EALDH1A1SMN1; SMN2PDGFRB
SCHEMBL8498365 0.70 TDP1 (0.44) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL14906876 0.70 MAOA (0.38) NQO2KDM4EALDH1A1SMN1; SMN2PDGFRB

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-5981541-A ACRIDINE DERIVATIVES; ANTICANCER AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-11-09 US claimed
US-5981541-A ACRIDINE DERIVATIVES; ANTICANCER AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-11-09 US disclosed
EP-0950054-A1 SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-10-20 EP disclosed
WO-1998012181-A1 SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-03-26 WO disclosed