SCHEMBL10558591

SCHEMBL10558591

CCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)cc2)nc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.74
RAB9A P51151 10/20 0.74
NPC1 O15118 9/20 0.74
NFKB1 P19838 5/20 0.74
NFKB2 Q00653 4/20 0.74
RELA Q04206 4/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
MAPK1 P28482 2/20 0.74
MAPT P10636 7/20 0.66
STAT3 P40763 1/20 0.66
ATM Q13315 1/20 0.66
CASP3 P42574 2/20 0.64
SENP8 Q96LD8 2/20 0.64
SENP7 Q9BQF6 2/20 0.64
SENP6 Q9GZR1 2/20 0.64
TP53 P04637 3/20 0.61
PKM P14618 2/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55

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
SCHEMBL10561388 1.00 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10554655 1.00 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10558522 1.00 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL9620421 0.98 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL9620136 0.98 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10461560 0.97 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10460734 0.97 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10554271 0.97 RAB9A (0.79) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10554223 0.97 RAB9A (0.79) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL10560707 0.95 SMN1; SMN2 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4879060-A 2-phenylpyridine derivatives and liquid crystal compositions including same SEIKO EPSON KABUSHIKI KAISHA (JP) 1989-11-07 US disclosed
US-4684220-A 2-phenylpyridine derivatives and liquid crystal compositions including same SEIKO EPSON KABUSHIKI KAISHA (JP) 1987-08-04 US disclosed