SCHEMBL3395158

SCHEMBL3395158

Cc1ccc2c(n1)[nH]c1ccc(C(Br)C=O)cc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
ADORA1 P30542 6/20 0.36
ADORA2A P29274 5/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL3394397 0.84 KDM4E (0.36) KDM4EKMT2AADORA1ADORA2AMEN1
SCHEMBL676126 0.76 KIF11 (0.51) KDM4EKMT2AADORA1ADORA2AMEN1
SCHEMBL21645575 0.70 CYP1A2 (0.49) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL675470 0.70 KDM4E (0.55) KDM4EKMT2AADORA1ADORA2AALDH1A1
SCHEMBL675071 0.70 KIF11 (0.58) KDM4EKMT2AADORA1ADORA2AMEN1
SCHEMBL679355 0.69 ADORA2A (0.57) KDM4EKMT2AADORA1ADORA2AMEN1
SCHEMBL674852 0.68 KDM4E (0.43) KDM4EKMT2AADORA1ADORA2AMEN1
SCHEMBL676055 0.67 CA5A (0.62) KDM4EKMT2AADORA1ADORA2AMEN1
SCHEMBL675713 0.67 TLR8 (0.46) KDM4EKMT2AALDH1A1MAPT
SCHEMBL34463365 0.66 ALDH1A1 (0.44) KDM4EKMT2AADORA1ADORA2AMEN1

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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed