SCHEMBL9606024

SCHEMBL9606024

O=C(Nc1ccc(Cl)cc1)c1cccc2c1CCN(CC1=c3ccccc3=NCC1)C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.53
NOD1 Q9Y239 7/20 0.52
TNF P01375 5/20 0.52
NOD2 Q9HC29 5/20 0.52
CARM1 Q86X55 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
ACACB O00763 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4982048 0.81 KDR (0.61) KDRNOD1TNFNOD2CARM1
SCHEMBL4439008 0.76 KDR (0.80) KDRNOD1TNFNOD2CARM1
SCHEMBL14122641 0.75 CARM1 (0.60) KDRNOD1TNFNOD2CARM1
SCHEMBL14147238 0.72 KDR (0.53) KDRNOD1TNFNOD2CARM1
SCHEMBL9605547 0.71 KDR (0.70) KDRNOD1TNFNOD2CARM1
SCHEMBL14134955 0.70 NOD1 (0.53) KDRNOD1TNFNOD2CARM1
SCHEMBL9605535 0.69 KDR (1.00) KDRABCB1ABCG2
SCHEMBL4979852 0.69 KDR (0.64) KDRNOD1TNFNOD2CARM1
SCHEMBL14122438 0.68 KDR (0.82) KDRCARM1SMN1; SMN2KDM4ELMNA
SCHEMBL9605558 0.68 KDR (0.53) KDRNOD1CARM1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118088-B1 Heterocyclic compounds and their use in treating inflammation, angiogenesis and cancer AMGEN INC (US) 2012-05-30 EP disclosed