SCHEMBL10985666

SCHEMBL10985666

CCC(C)NC(=O)c1cc2ccccc2c(-c2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TP53 P04637 4/20 0.47
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSPO P30536 7/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NR1I3 Q14994 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10988916 0.83 TSPO (0.48) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL30539311 0.83 TSPO (0.65) MEN1KMT2ATP53RAB9AALDH1A1
SCHEMBL1170339 0.83 TSPO (0.65) MEN1KMT2ATP53RAB9AALDH1A1
SCHEMBL10985687 0.83 TSPO (0.65) MEN1KMT2ATP53RAB9AALDH1A1
SCHEMBL10987741 0.83 TSPO (0.65) MEN1KMT2ATP53RAB9AALDH1A1
SCHEMBL5973200 0.83 RAB9A (0.48) MEN1KMT2ATP53RAB9AALDH1A1
SCHEMBL10987019 0.82 ERCC1 (0.49) MEN1KMT2ATP53RAB9AALDH1A1
SCHEMBL10987066 0.82 RAB9A (0.47) MEN1KMT2ATP53RAB9AALDH1A1
SCHEMBL10990228 0.81 RAB9A (0.45) MEN1KMT2ATP53RAB9AALDH1A1
SCHEMBL3039437 0.79 TSPO (0.52) MEN1KMT2ATP53RAB9AALDH1A1

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