SCHEMBL9326702

SCHEMBL9326702

CCCCc1ccc(-c2ccc(CC)cc2F)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
NPC1 O15118 8/20 0.59
NFKB1 P19838 5/20 0.59
NFKB2 Q00653 4/20 0.59
RELA Q04206 4/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 2/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.50
PKM P14618 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.45
STAT3 P40763 1/20 0.45
ATM Q13315 1/20 0.45
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44

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
SCHEMBL9327085 0.96 RAB9A (0.54) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9328827 0.94 RAB9A (0.56) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9328543 0.91 RAB9A (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9325610 0.91 RAB9A (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9325558 0.91 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9327237 0.90 RAB9A (0.51) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9155899 0.89 RAB9A (0.48) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9325596 0.89 RAB9A (0.50) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9325708 0.89 RAB9A (0.50) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9327112 0.88 CYP11B1 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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