SCHEMBL29892985

SCHEMBL29892985

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TDO2 P48775 2/20 0.46
DHODH Q02127 2/20 0.46
IDO1 P14902 1/20 0.46
ACP1 P24666 2/20 0.45
SLC6A2 P23975 1/20 0.44
P2RY14 Q15391 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
RUVBL1 Q9Y265 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL29894100 0.91 ADORA3 (0.46) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL29893059 0.88 NAMPT (0.51) PPARD
SCHEMBL29893119 0.86 P2RY14 (0.43) SLC6A2P2RY14ADORA3MAPK1MAP2K4
SCHEMBL29893288 0.86 MLYCD (0.44) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL29893608 0.86 TDO2 (0.49) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL29893305 0.85 P2RY14 (0.48) KDM4EALDH1A1HPGDMAPTDHODH
SCHEMBL27077390 0.85 KDM4E (0.43) KDM4ETDP1MEN1KMT2APPARD
SCHEMBL29893160 0.85 TDO2 (0.42) KDM4ESMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL25981084 0.85 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL29893404 0.84 MAPK1 (0.44) KDM4EESR1ESR2DHODHACP1

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