SCHEMBL10202040

SCHEMBL10202040

C=C(NS(=C)(=C)C)c1ccc(OCc2ccc(F)c(F)c2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
GCGR P47871 1/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PPARA Q07869 1/20 0.38
USP2 O75604 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
SCHEMBL371154 0.80 MRGPRX4 (0.62) MRGPRX4MAOAMAOBGCGRHPGD
SCHEMBL365277 0.78 MRGPRX4 (0.58) MRGPRX4MAOAMAOBGCGRHPGD
SCHEMBL367030 0.76 MRGPRX4 (0.67) MRGPRX4HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL364527 0.68 SCN9A (0.63) MRGPRX4HPGDSMN1; SMN2KMT2ASCN9A
SCHEMBL9586217 0.68 MRGPRX4 (0.47) MRGPRX4MAOAMAOBPPARA
SCHEMBL364759 0.65 MRGPRX4 (0.64) MRGPRX4HPGDSMN1; SMN2KMT2ASCN9A
SCHEMBL30792326 0.65 MRGPRX4 (0.46) MRGPRX4MAOAMAOBSCN9ANPC1
SCHEMBL364950 0.64 MAOB (0.66) MRGPRX4MAOAMAOBSMN1; SMN2SCN9A
SCHEMBL4268320 0.63 MAPT (0.58) MRGPRX4HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL2561786 0.62 ENPP2 (0.57) MRGPRX4HPGDSMN1; SMN2KMT2ANPC1

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-2012007868-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed