SCHEMBL9328588

SCHEMBL9328588

CCCCc1ccc(-c2ccc(C)cc2F)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.73
NPC1 O15118 8/20 0.73
SMN1; SMN2 Q16637 7/20 0.73
NFKB1 P19838 5/20 0.73
NFKB2 Q00653 4/20 0.73
RELA Q04206 4/20 0.73
MAPK1 P28482 2/20 0.73
TP53 P04637 2/20 0.73
POLB P06746 1/20 0.73
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.49
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 1/20 0.45
PKM P14618 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.44
STAT3 P40763 1/20 0.44
ATM Q13315 1/20 0.44
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43

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
SCHEMBL9326467 0.96 RAB9A (0.67) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9327867 0.95 RAB9A (0.66) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9328817 0.95 RAB9A (0.66) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9325528 0.92 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9325636 0.89 RAB9A (0.61) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9325610 0.87 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9326702 0.87 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9328543 0.87 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9325737 0.85 NPC1 (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9327815 0.85 RAB9A (0.56) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361157-B1 Phenyl pyridines HOFFMANN LA ROCHE (CH) 1994-03-02 EP disclosed
US-5284956-A Liquid crystalline mixtures containing 2-(2-fluorophenyl) pyridines HOFFMANN-LA ROCHE INC. (US) 1994-02-08 US disclosed
EP-0361157-A1 Phenyl pyridines F. HOFFMANN-LA ROCHE AG (CH) 1990-04-04 EP disclosed