SCHEMBL25042657

SCHEMBL25042657

O=C(O)c1ccc2c(ccc(=O)n2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.51
TEAD4 Q15561 1/20 0.51
TEAD2 Q15562 1/20 0.51
TEAD3 Q99594 1/20 0.51
SRD5A2 P31213 2/20 0.45
PTPN1 P18031 1/20 0.44
SLC6A2 P23975 1/20 0.40
P2RY14 Q15391 1/20 0.40
MGLL Q99685 1/20 0.40
SCN9A Q15858 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CFTR P13569 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.38
GSK3B P49841 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL25042658 0.85 NOTUM (0.41) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL25043183 0.82 NPSR1 (0.49) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL25041563 0.81 MGLL (0.50) TEAD1TEAD4TEAD2TEAD3MGLL
SCHEMBL122436 0.80 MGLL (0.57) TEAD1TEAD4TEAD2TEAD3SRD5A2
SCHEMBL25042771 0.78 MGLL (0.47) MGLLSCN9A
SCHEMBL30561336 0.77 TEAD1 (0.67) TEAD1TEAD4TEAD2TEAD3SRD5A2
SCHEMBL25381821 0.77 TEAD1 (0.67) TEAD1TEAD4TEAD2TEAD3SRD5A2
SCHEMBL6840348 0.75 KMT2A (0.53) TEAD1TEAD4TEAD2TEAD3SRD5A2
SCHEMBL122663 0.74 HSD17B10 (0.72) TEAD1TEAD4TEAD2TEAD3RXRA
SCHEMBL29280306 0.74 SRD5A2 (0.49) TEAD1TEAD4TEAD2TEAD3SRD5A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016562-A1 POLYCYCLIC COMPOUND AND USE THEREOF 浙江同源康医药股份有限公司 2023-02-16 WO disclosed