SCHEMBL9724923

SCHEMBL9724923

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SOAT1 P35610 1/20 0.46
BACE1 P56817 2/20 0.44
LTA4H P09960 1/20 0.44
HDAC1 Q13547 1/20 0.43

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) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9724829 0.86 BACE1 (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9724978 0.85 KMT2A (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5037571 0.85 MAPK1 (0.63) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9724786 0.84 DDX3X (0.51) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL20124862 0.83 RAB9A (0.51) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9724833 0.82 LMNA (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL19316158 0.82 NPC1 (0.74) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9724968 0.81 KMT2A (0.65) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL9724950 0.81 ALDH1A1 (0.54) RAB9ANPC1MEN1KMT2AMAPT

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