SCHEMBL10987019

SCHEMBL10987019

CCC(C)NC(=O)c1cc2ccccc2c(-c2cccs2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TACR3 P29371 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10985666 0.82 MEN1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10989480 0.79 KDM4E (0.50) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL10988916 0.79 TSPO (0.48) RAB9ATACR3MEN1KMT2AALDH1A1
SCHEMBL30539311 0.79 TSPO (0.65) RAB9AMEN1KMT2AALDH1A1NPSR1
SCHEMBL10985687 0.79 TSPO (0.65) RAB9AMEN1KMT2AALDH1A1NPSR1
SCHEMBL10987741 0.79 TSPO (0.65) RAB9AMEN1KMT2AALDH1A1NPSR1
SCHEMBL1170339 0.79 TSPO (0.65) RAB9AMEN1KMT2AALDH1A1NPSR1
SCHEMBL5973200 0.78 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4283404 0.75 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3039437 0.74 TSPO (0.52) RAB9AMEN1KMT2AALDH1A1HTT

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-4499094-A PREVENTION OF RESPIRATORY, UROGENITAL, CARDIOVASCULAR AND IMMUNOLOGICAL DISORDERS WHEN USING FOR BENZDIAPINES PHARMUKA LABORATOIRES (FR) 1985-02-12 US disclosed