SCHEMBL7966334

SCHEMBL7966334

CCOC(=O)C1=Nc2cc3c(c(C)c2=C1C)C=C(C(=O)OC)N=3

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
FGB P02675 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
ALOX15 P16050 1/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31
SLC2A1 P11166 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
S1PR2 O95136 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7963227 0.78 LMNA (0.36) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL7965432 0.75 MAPT (0.34) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL8536893 0.71 MAPT (0.52) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL8911552 0.70 SMN1; SMN2 (0.36) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL9434368 0.68 SMN1; SMN2 (0.36) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL9434365 0.66 FGB (0.42) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL9434910 0.65 HRH3 (0.37) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL7969917 0.65
SCHEMBL1388444 0.64 FGB (0.38) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL9434110 0.64 SMN1; SMN2 (0.36) KDM4EALDH1A1MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US claimed
EP-0807113-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS University College Cardiff Consultants Limited (GB) 1997-11-19 EP claimed
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US disclosed
EP-0807113-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS University College Cardiff Consultants Limited (GB) 1997-11-19 EP disclosed
WO-1995021171-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1995-08-10 WO disclosed