SCHEMBL16906152

SCHEMBL16906152

COc1ccc(CN2C(=O)COc3cc(-c4c(C)oc(C)c4C)c(OC)cc32)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ CYP2C9 P11712 4/20 0.36
▸ HTR1A P08908 3/20 0.36
▸ HTR1D P28221 3/20 0.36
▸ HTR1B P28222 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 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
SCHEMBL18317138 0.87 BRD4 (0.41) L3MBTL1FGFR1FGFR2FGFR4FGFR3
SCHEMBL16905973 0.84 L3MBTL1 (0.46) L3MBTL1FGFR1FGFR2FGFR4FGFR3
SCHEMBL16897775 0.79 BRD4 (0.44) L3MBTL1CYP2C9HTR1AHTR1DHTR1B
SCHEMBL18317114 0.78 BRD4 (0.41) L3MBTL1CYP2C9CYP3A4POLBMAPT
SCHEMBL18326362 0.77 L3MBTL1 (0.46) L3MBTL1CYP2C9HTR1AHTR1DHTR1B
SCHEMBL16896942 0.74 L3MBTL1 (0.44) L3MBTL1CYP2C9CYP3A4USP2BRD4
SCHEMBL16896794 0.73 BRD4 (0.43) L3MBTL1CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL16896893 0.72 BRD4 (0.44) L3MBTL1CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL18326396 0.71 L3MBTL1 (0.43) L3MBTL1USP2BRD4PIK3CG
SCHEMBL18581628 0.71 L3MBTL1 (0.44) L3MBTL1CYP2C9CYP3A4CYP2D6CYP2C19

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-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO disclosed
Send feedback