SCHEMBL7963227

SCHEMBL7963227

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
FGB P02675 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 2/20 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
SCHEMBL7966334 0.78 KDM4E (0.36) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8536893 0.72 MAPT (0.52) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL9434368 0.70 SMN1; SMN2 (0.36) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8911552 0.70 SMN1; SMN2 (0.36) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL9434365 0.68 FGB (0.42) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL7965432 0.68 MAPT (0.34) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL9434910 0.67 HRH3 (0.37) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL1388444 0.66 FGB (0.38) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL9434110 0.66 SMN1; SMN2 (0.36) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL14270581 0.55 MAPT (0.64) LMNAHSP90AA1MAPTHTTSMN1; SMN2

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 8 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
WO-1999045926-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AND IMMUNOMODULATORY AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1999-09-16 WO claimed
EP-0807113-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS University College Cardiff Consultants Limited (GB) 1997-11-19 EP claimed
WO-1995021171-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1995-08-10 WO claimed
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US disclosed
WO-1999045926-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AND IMMUNOMODULATORY AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1999-09-16 WO 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