SCHEMBL31409595

SCHEMBL31409595

Cc1cc(I)cc(Oc2ccc(C(F)(F)F)nc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
ATM Q13315 2/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 10/20 0.38
FPR2 P25090 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
IGF1R P08069 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL16396103 0.84 CYP1A2 (0.44) L3MBTL1KDM4EMAPTBLMCYP1A2
SCHEMBL16395767 0.83 CYP1A2 (0.44) L3MBTL1KDM4EMAPTBLMCYP1A2
SCHEMBL16396910 0.73 CYP1A2 (0.42) L3MBTL1KDM4EMAPTBLMCYP1A2
SCHEMBL28356864 0.70 IGF1R (0.44) L3MBTL1KDM4EMAPTBLMCYP1A2
SCHEMBL21731003 0.70 HSP90AA1 (0.55) L3MBTL1KDM4EMAPTATMCYP2C19
SCHEMBL31409643 0.70 CYP1A2 (0.34) L3MBTL1KDM4EMAPTBLMCYP1A2
SCHEMBL20406221 0.69 SCN9A (0.37) SCN9AFPR2SCN10A
SCHEMBL20554063 0.69 LOXL2 (0.46) L3MBTL1BLMCYP1A2CYP2C9SCN9A
SCHEMBL30132706 0.69 LOXL2 (0.46) L3MBTL1BLMCYP1A2CYP2C9SCN9A
SCHEMBL20406377 0.68 BLM (0.48) BLMCYP1A2CYP2C9SCN9A

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-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed