SCHEMBL25261997

SCHEMBL25261997

COc1ccc(-c2ccc(C(=O)O)cc2)c(-c2ccnn2C2CCCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.44
CYP4A11 Q02928 5/20 0.44
ATR Q13535 11/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP2C8 P10632 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 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
SCHEMBL25304235 0.91 CYP4F2 (0.43) CYP4F2CYP4A11ATRKDM4EMEN1
SCHEMBL24693881 0.75 CYP4F2 (0.50) CYP4F2CYP4A11ATRKMT2A
SCHEMBL17112012 0.74 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL23535790 0.73 CYP4F2 (0.50) CYP4F2CYP4A11ATR
SCHEMBL4079169 0.72 KDM4E (0.44) KDM4E
SCHEMBL15016182 0.72 CYP4F2 (0.50) CYP4F2CYP4A11ATR
SCHEMBL19881080 0.71 CYP4F2 (0.48) CYP4F2CYP4A11ATR
Potassium Ion SCHEMBL5819229 0.71 KDM4E (0.43) KDM4E
SCHEMBL5819232 0.71 KDM4E (0.43) KDM4E
SCHEMBL19276681 0.71 CYP4F2 (0.65) CYP4F2CYP4A11ATR

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
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 WO disclosed