SCHEMBL7965432

SCHEMBL7965432

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.33
FGB P02675 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 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
SCHEMBL7966334 0.75 KDM4E (0.36) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL1388444 0.68 FGB (0.38) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL7963227 0.68 LMNA (0.36) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL9434365 0.68 FGB (0.42) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL8911552 0.68 SMN1; SMN2 (0.36) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL9434368 0.68 SMN1; SMN2 (0.36) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL9434910 0.67 HRH3 (0.37) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL9434110 0.65 SMN1; SMN2 (0.36) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL8536893 0.65 MAPT (0.52) MAPTLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL9435019 0.65 ALDH1A1 (0.35) MAPTLMNAHSP90AA1HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US disclosed