SCHEMBL7947650

SCHEMBL7947650

Cc1ccccc1-c1nc(-c2ccccc2OCCN(C)C)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
GAA P10253 3/20 0.52
HTR7 P34969 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MITF O75030 1/20 0.50
PKM P14618 1/20 0.50
S1PR1 P21453 4/20 0.49
TP53 P04637 4/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TTR P02766 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL7960663 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AGAAHTR7
SCHEMBL7954897 0.92 HTR7 (0.56) SMN1; SMN2NPC1RAB9AGAAHTR7
SCHEMBL7962019 0.88 NPC1 (0.56) SMN1; SMN2NPC1RAB9AGAAHTR7
SCHEMBL7956815 0.88 HTR7 (0.66) SMN1; SMN2NPC1RAB9AGAAHTR7
SCHEMBL7957127 0.86 CASP3 (0.57) SMN1; SMN2NPC1RAB9AHTR7L3MBTL1
SCHEMBL7957242 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR7L3MBTL1
SCHEMBL7964562 0.86 NPC1 (0.51) SMN1; SMN2NPC1RAB9AGAAHTR7
SCHEMBL5736045 0.86 HTR7 (0.63) SMN1; SMN2NPC1RAB9AHTR7L3MBTL1
SCHEMBL7956454 0.85 HTR7 (0.52) SMN1; SMN2NPC1RAB9AGAAHTR7
SCHEMBL7947807 0.84 HTR7 (0.56) SMN1; SMN2NPC1RAB9AGAAHTR7

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