SCHEMBL29893404

SCHEMBL29893404

COCc1cc(-c2ccc(C(F)(F)F)cc2)nc2cc(C(=O)O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
MAP2K4 P45985 1/20 0.44
MAPK6 Q16659 1/20 0.44
MAPKAPK5 Q8IW41 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
PPARD Q03181 3/20 0.43
P2RY14 Q15391 2/20 0.43
SLC6A2 P23975 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSPO P30536 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ACP1 P24666 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 1/20 0.41
LTB4R Q15722 2/20 0.40

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
SCHEMBL29892985 0.84 KDM4E (0.49) MAPK1MAP2K4MAPK6MAPKAPK5KDM4E
SCHEMBL29893305 0.83 P2RY14 (0.48) MAPK1MAP2K4MAPK6MAPKAPK5KDM4E
SCHEMBL27077506 0.83 HDAC4 (0.48) KDM4EADORA3RAB9A
SCHEMBL29893059 0.81 NAMPT (0.51) PPARD
SCHEMBL29893009 0.81 P2RY14 (0.57) MAPK1MAP2K4MAPK6MAPKAPK5P2RY14
SCHEMBL29893763 0.81 ESR1 (0.50) MAPK1MAP2K4MAPK6MAPKAPK5KDM4E
SCHEMBL29893198 0.80 P2RY14 (0.47) MAPK1MAP2K4MAPK6MAPKAPK5P2RY14
SCHEMBL29892662 0.80 ACP1 (0.49) MAPK1MAP2K4MAPK6MAPKAPK5P2RY14
SCHEMBL29893057 0.80 P2RY14 (0.44) MAPK1MAP2K4MAPK6MAPKAPK5P2RY14
SCHEMBL29893360 0.79 ADORA3 (0.44) KDM4EADORA3ACP1MEN1KMT2A

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