SCHEMBL9125584

SCHEMBL9125584

N=C(Nc1ccc(Cl)cc1)Nc1ncc(Cl)cc1OCc1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
SGMS2 Q8NHU3 1/20 0.44
DHODH Q02127 4/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPIA P62937 1/20 0.38
CACNA1G O43497 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
SCHEMBL9126695 0.88 CNR1 (0.45) CNR1SGMS2DHODHRAB9ASMN1; SMN2
SCHEMBL9127827 0.87 PPIA (0.50) CNR1SGMS2DHODHRAB9ASMN1; SMN2
SCHEMBL9125819 0.82 DHODH (0.42) CNR1SGMS2DHODHRAB9ASMN1; SMN2
SCHEMBL9129017 0.81 SGMS2 (0.50) SGMS2DHODHRAB9ASMN1; SMN2KMT2A
SCHEMBL9124032 0.81 PPIA (0.53) CNR1SGMS2RAB9ASMN1; SMN2PPIA
SCHEMBL9125961 0.80 SGMS2 (0.41) CNR1SGMS2DHODHRAB9ASMN1; SMN2
SCHEMBL9126729 0.79 SGMS2 (0.55) SGMS2DHODHRAB9APPIA
SCHEMBL9123957 0.79 SGMS2 (0.48) SGMS2DHODHRAB9ASMN1; SMN2KMT2A
SCHEMBL9127894 0.78 PPIA (0.55) SGMS2RAB9ASMN1; SMN2KMT2APPIA
SCHEMBL9128706 0.76 PPIA (0.52) SGMS2RAB9ASMN1; SMN2MEN1KMT2A

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