SCHEMBL2641872

SCHEMBL2641872

Oc1ccc(/C=C/c2ccc(F)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
NFE2L2 Q16236 2/20 0.47
APP P05067 8/20 0.47
MAOB P27338 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL2641876 1.00 KMT2A (0.49) KMT2ARAB9ANFE2L2APPMAOB
SCHEMBL2641804 0.80 CYP19A1 (0.48) KMT2ARAB9ANFE2L2APPMAOB
SCHEMBL2641801 0.80 CYP19A1 (0.48) KMT2ARAB9ANFE2L2APPMAOB
SCHEMBL2943525 0.79 KMT2A (0.52) KMT2ARAB9ANFE2L2APPMAOB
SCHEMBL1604458 0.79 KMT2A (0.52) KMT2ARAB9ANFE2L2APPMAOB
SCHEMBL1604461 0.79 KMT2A (0.52) KMT2ARAB9ANFE2L2APPMAOB
SCHEMBL2943526 0.79 KMT2A (0.52) KMT2ARAB9ANFE2L2APPMAOB
SCHEMBL2641966 0.78 NFE2L2 (0.40) NFE2L2APPMAPT
SCHEMBL2641969 0.78 NFE2L2 (0.40) NFE2L2APPMAPT
SCHEMBL2641766 0.76 APP (0.61) KMT2ARAB9AAPPMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed