SCHEMBL29893923

SCHEMBL29893923

COc1cc(-c2ccc(C(F)(F)F)cc2-c2ccccc2)nc2cc(C(=O)O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.42
NAMPT P43490 1/20 0.41
DHODH Q02127 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGFR P43088 1/20 0.41
ALOX15 P16050 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
BACE1 P56817 1/20 0.40
CSNK2A1 P68400 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL27077496 1.00 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL29892708 0.92 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL27077390 0.88 KDM4E (0.43) KDM4ENAMPTMEN1POLBKMT2A
SCHEMBL29892985 0.84 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL25981084 0.81 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL29893160 0.79 TDO2 (0.42) KDM4ESMN1; SMN2ALDH1A1LMNADHODH
SCHEMBL29893182 0.79 ADH5 (0.43) KDM4EALDH1A1CSNK2A1
SCHEMBL27077393 0.79 ADH5 (0.43) KDM4EALDH1A1CSNK2A1
SCHEMBL31212293 0.79 CSNK2A2 (0.52) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL25983147 0.79 CSNK2A2 (0.52) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD

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