SCHEMBL22626622

SCHEMBL22626622

COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)NC3CCC(O)C3)nn1-c1ccsc1)CO2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ HTR3A P46098 2/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL17789738 1.00 KMT2A (0.31) KMT2ATTKHTR3ATRPV1MAPT
SCHEMBL17789695 1.00 KMT2A (0.31) KMT2ATTKHTR3ATRPV1MAPT
SCHEMBL16377787 0.95 MAPT (0.31) TTKHTR3AMAPT
SCHEMBL17789696 0.90 KMT2A (0.32) KMT2ATTKTRPV1MAPT
SCHEMBL17789739 0.90 KMT2A (0.32) KMT2ATTKTRPV1MAPT
SCHEMBL16377996 0.89 CCNA2 (0.32) TTKHTR3ATRPV1MAPT
SCHEMBL17789730 0.89 FGFR3 (0.33) KMT2ATTK
SCHEMBL22626500 0.86 NTRK1 (0.30) KMT2AMAPT
SCHEMBL19326993 0.86 MAPT (0.34) MAPT
SCHEMBL22626677 0.85 — —

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
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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