SCHEMBL9126733

SCHEMBL9126733

NC(=Nc1ccccc1)Nc1ncccc1OCc1c(F)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.48
PPIF P30405 1/20 0.46
PPIA P62937 8/20 0.44
TDP1 Q9NUW8 2/20 0.42
DHODH Q02127 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9129022 0.94 SGMS2 (0.46) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9127446 0.93 SGMS2 (0.46) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9126615 0.93 PPIA (0.48) SGMS2PPIFPPIATDP1KMT2A
SCHEMBL9123963 0.91 SGMS2 (0.44) SGMS2PPIFPPIATDP1ALDH1A1
SCHEMBL9129424 0.90 SGMS2 (0.48) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9124036 0.88 PPIF (0.48) SGMS2PPIFPPIATDP1ALDH1A1
SCHEMBL9126543 0.87 PPIA (0.45) SGMS2PPIFPPIATDP1DHODH
SCHEMBL9127905 0.85 PPIA (0.45) SGMS2PPIFPPIAALDH1A1SMN1; SMN2
SCHEMBL9128712 0.82 PPIA (0.43) SGMS2PPIFPPIAALDH1A1
SCHEMBL9126129 0.82 PPIF (0.46) SGMS2PPIFPPIATDP1DHODH

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