SCHEMBL9328827

SCHEMBL9328827

CCCCc1ccc(-c2ccc(CC)cn2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
NFKB1 P19838 5/20 0.56
NFKB2 Q00653 4/20 0.56
RELA Q04206 4/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.47
PKM P14618 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.42
STAT3 P40763 1/20 0.42
ATM Q13315 1/20 0.42
S1PR1 P21453 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL9327237 0.96 RAB9A (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9325708 0.94 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9325596 0.94 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9326702 0.94 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9325610 0.91 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9328543 0.91 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9327607 0.91 NPC1 (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9327085 0.90 RAB9A (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9154985 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9327112 0.88 CYP11B1 (0.46) 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