SCHEMBL16345751

SCHEMBL16345751

COc1ccc(Br)c2cc(C)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.46
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
NQO2 P16083 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KDR P35968 1/20 0.37
MCL1 Q07820 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL23218427 0.86 ALDH1A1 (0.45) F2RL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16345750 0.81 F2RL3 (0.45) F2RL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28730184 0.79 F2RL3 (0.44) F2RL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3705592 0.79 IDO1 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL20562110 0.79 KDM4E (0.44) F2RL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18325768 0.78 SLC22A12 (0.48) F2RL3ALDH1A1KDM4EHPGDMAPT
SCHEMBL7427465 0.78 F2RL3 (0.43) F2RL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7428362 0.77 ERN1 (0.44) F2RL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6604398 0.77 F2RL3 (0.43) F2RL3ALDH1A1KDM4EHPGDMAPT
SCHEMBL2173838 0.77 PDE4B (0.50) F2RL3ALDH1A1KDM4EHPGDHSD17B10

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
EP-3016946-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2016-05-11 EP disclosed
WO-2015003166-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2015-01-08 WO disclosed