SCHEMBL9620136

SCHEMBL9620136

CCCCc1ccc(-c2ccc(CCC)cc2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.77
RAB9A P51151 10/20 0.77
NPC1 O15118 9/20 0.77
NFKB1 P19838 5/20 0.77
NFKB2 Q00653 4/20 0.77
RELA Q04206 4/20 0.77
L3MBTL1 Q9Y468 3/20 0.77
MAPK1 P28482 2/20 0.77
MAPT P10636 7/20 0.68
STAT3 P40763 1/20 0.68
ATM Q13315 1/20 0.68
CASP3 P42574 2/20 0.66
SENP8 Q96LD8 2/20 0.66
SENP7 Q9BQF6 2/20 0.66
SENP6 Q9GZR1 2/20 0.66
TP53 P04637 3/20 0.63
PKM P14618 2/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56

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
SCHEMBL9620421 1.00 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10561388 0.98 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10558522 0.98 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10461560 0.98 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10460734 0.98 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10554655 0.98 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10558591 0.98 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL9620816 0.96 RAB9A (0.81) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7913857 0.95 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL9620745 0.95 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1NFKB1NFKB2

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
EP-0283490-B1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed