SCHEMBL29757282

SCHEMBL29757282

NC(=O)c1cc(Oc2ccc(F)cc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.53
SCN9A Q15858 15/20 0.53
RAF1 P04049 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
FPR2 P25090 3/20 0.47
GRM5 P41594 1/20 0.47

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
SCHEMBL23913769 1.00 P2RX3 (0.53) P2RX3SCN9ARAF1HRH3FPR2
SCHEMBL2427202 0.86 P2RX3 (0.52) P2RX3SCN9ARAF1HRH3GRM5
SCHEMBL4369342 0.86 PARP10 (0.54) P2RX3RAF1
SCHEMBL177841 0.86 PARP10 (0.54) P2RX3RAF1
SCHEMBL23900346 0.85 USP2 (0.50) P2RX3SCN9ARAF1GRM5
SCHEMBL29757280 0.85 USP2 (0.50) P2RX3SCN9ARAF1GRM5
SCHEMBL6273015 0.84 RAF1 (0.50) P2RX3RAF1HRH3
SCHEMBL23900111 0.84 HRH3 (0.50) P2RX3RAF1HRH3GRM5
SCHEMBL257959 0.84 RAF1 (0.50) P2RX3RAF1
SCHEMBL4155509 0.84 PARP10 (0.51) RAF1HRH3GRM5

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
CN-115279763-A RIP1 inhibiting compounds and methods of making and using the same 里格尔药品股份有限公司 2022-11-01 CN disclosed
CN-114728918-A RIP1 inhibiting compounds and methods of making and using the same 里格尔药品股份有限公司 2022-07-08 CN disclosed