SCHEMBL9326467

SCHEMBL9326467

CCCCCc1ccc(-c2ccc(C)cc2F)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
NPC1 O15118 8/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
NFKB1 P19838 4/20 0.67
NFKB2 Q00653 4/20 0.67
RELA Q04206 4/20 0.67
MAPK1 P28482 2/20 0.67
TP53 P04637 2/20 0.67
POLB P06746 1/20 0.67
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.49
STAT3 P40763 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 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
SCHEMBL9327867 0.99 RAB9A (0.66) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9328817 0.99 RAB9A (0.66) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9328588 0.96 RAB9A (0.73) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9325528 0.90 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9327815 0.89 RAB9A (0.56) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9326707 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9326991 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9327085 0.88 RAB9A (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9328544 0.88 RAB9A (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9328291 0.88 RAB9A (0.54) 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