SCHEMBL7947658

SCHEMBL7947658

CN(C)CCOc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR7 P34969 2/20 0.51
TP53 P04637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CXCR1 P25024 1/20 0.49
S1PR1 P21453 4/20 0.48
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.47
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL7956790 0.91 TTR (0.54) SMN1; SMN2RAB9ANPC1MEN1CYP1A2
SCHEMBL7957222 0.91 HTR7 (0.53) SMN1; SMN2RAB9ANPC1HTR7TP53
SCHEMBL5736045 0.90 HTR7 (0.63) SMN1; SMN2RAB9ANPC1HTR7TP53
SCHEMBL7956454 0.89 HTR7 (0.52) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7947853 0.88 HTR7 (0.51) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7954897 0.86 HTR7 (0.56) SMN1; SMN2RAB9ANPC1HTR7TP53
SCHEMBL7957242 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MEN1CYP1A2
SCHEMBL7961683 0.83 CASP3 (0.51) SMN1; SMN2RAB9ANPC1MEN1CYP1A2
SCHEMBL7958614 0.83 NPC1 (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7955292 0.82 TTR (0.55) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed