SCHEMBL29893182

SCHEMBL29893182

COc1cc(-c2ccc(C(F)(F)F)cc2-n2ccnc2)nc2cc(C(=O)O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 6/20 0.43
ALDH1A1 P00352 1/20 0.41
SCN9A Q15858 3/20 0.41
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ERAP1 Q9NZ08 3/20 0.39
ERAP2 Q6P179 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CYP4Z1 Q86W10 1/20 0.36
CETP P11597 1/20 0.36
PTGER4 P35408 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
SCHEMBL27077393 1.00 ADH5 (0.43) ADH5ALDH1A1SCN9ACYP19A1CYP11B1
SCHEMBL29893719 0.85 PSEN1 (0.50) TLR2TLR1
SCHEMBL27077585 0.83 KDM4E (0.38) ERAP1ERAP2KDM4ETLR2TLR1
SCHEMBL29893030 0.83 KDM4E (0.38) ERAP1ERAP2KDM4ETLR2TLR1
SCHEMBL27077390 0.82 KDM4E (0.43) ERAP1ERAP2KDM4ECSNK2A1CETP
SCHEMBL29893923 0.79 KDM4E (0.46) ALDH1A1KDM4ECSNK2A1
SCHEMBL27077496 0.79 KDM4E (0.46) ALDH1A1KDM4ECSNK2A1
SCHEMBL27077449 0.78 TLR2 (0.54) TLR2TLR1
SCHEMBL29892985 0.77 KDM4E (0.49) ALDH1A1KDM4E
SCHEMBL29893160 0.74 TDO2 (0.42) ALDH1A1KDM4ECSNK2A1

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-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed