SCHEMBL9129017

SCHEMBL9129017

N=C(Nc1ccc(F)cc1)Nc1ncccc1OCc1c(F)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.50
PPIF P30405 1/20 0.46
PPIA P62937 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
DHODH Q02127 2/20 0.43
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9126729 0.94 SGMS2 (0.55) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9123957 0.93 SGMS2 (0.48) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9124032 0.89 PPIA (0.53) SGMS2PPIFPPIARAB9ASMN1; SMN2
SCHEMBL9126946 0.89 PPIA (0.53) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9126321 0.87 SGMS2 (0.50) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9129421 0.87 PPIF (0.55) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9127894 0.87 PPIA (0.55) SGMS2PPIFPPIATDP1RAB9A
SCHEMBL9126609 0.85 PPIA (0.53) SGMS2PPIFPPIA
SCHEMBL9128706 0.84 PPIA (0.52) SGMS2PPIFPPIARAB9ASMN1; SMN2

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
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