SCHEMBL9724978

SCHEMBL9724978

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 1/20 0.52
ATM Q13315 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CNR1 P21554 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
IDO1 P14902 1/20 0.48
KLK7 P49862 3/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL9724808 0.89 MEN1 (0.53) KMT2AMEN1GAAATMNPC1
SCHEMBL9724829 0.86 BACE1 (0.54) KMT2AMEN1GAANPC1RAB9A
SCHEMBL9724967 0.85 MAPT (0.67) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9724923 0.85 RAB9A (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5037571 0.85 MAPK1 (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2610069 0.83 KMT2A (0.54) KMT2AMEN1GAAATMGPR55
SCHEMBL6663334 0.82 ROCK2 (0.60) KMT2AMEN1GAAATMGPR55
SCHEMBL2610082 0.82 MEN1 (0.74) KMT2AMEN1GAAATMGPR55
SCHEMBL21880195 0.82 ROCK2 (0.60) KMT2AMEN1GAAATMGPR55
SCHEMBL10176502 0.82 ROCK2 (0.60) KMT2AMEN1GAAATMGPR55

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
US-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed