SCHEMBL9124032

SCHEMBL9124032

N=C(Nc1ccc(Cl)cc1)Nc1ncccc1OCc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPIA P62937 11/20 0.53
PPIF P30405 2/20 0.49
SGMS2 Q8NHU3 2/20 0.42
RAB9A P51151 3/20 0.39
CNR1 P21554 1/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
AKR1C3 P42330 1/20 0.37
ERBB2 P04626 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL9127827 0.95 PPIA (0.50) PPIAPPIFSGMS2RAB9ACNR1
SCHEMBL9128706 0.92 PPIA (0.52) PPIAPPIFSGMS2RAB9ANPC1
SCHEMBL9129017 0.89 SGMS2 (0.50) PPIAPPIFSGMS2RAB9ASMN1; SMN2
SCHEMBL9127894 0.89 PPIA (0.55) PPIAPPIFSGMS2RAB9ANPC1
SCHEMBL9126729 0.87 SGMS2 (0.55) PPIAPPIFSGMS2RAB9A
SCHEMBL9125551 0.87 PPIA (0.53) PPIAPPIFSGMS2RAB9ASMN1; SMN2
SCHEMBL9123957 0.86 SGMS2 (0.48) PPIAPPIFSGMS2RAB9ASMN1; SMN2
SCHEMBL9125346 0.84 PPIA (0.50) PPIAPPIFSGMS2RAB9ANPC1
SCHEMBL9357599 0.84 PPIA (0.50) PPIAPPIFSGMS2RAB9ACNR1
SCHEMBL9124706 0.84 PPIA (0.50) PPIAPPIFSGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP claimed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO claimed
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed