SCHEMBL3638532

SCHEMBL3638532

CCC(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])nc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 2/20 0.43
NR1H4 Q96RI1 5/20 0.43
FABP1 P07148 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
JAK2 O60674 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
SCHEMBL3639218 0.89 KDR (0.41) CRHBPCRHR2KMT2ASMN1; SMN2MEN1
SCHEMBL3636294 0.86 CDK8 (0.53) THRBNR1H4FABP1
SCHEMBL3641158 0.80 MEN1 (0.47) KMT2ASMN1; SMN2MEN1MAPTHPGD
SCHEMBL3638529 0.80 BRAF (0.57) FFAR1
SCHEMBL2337545 0.79 MAPT (0.54) FFAR1CRHBPCRHR2KMT2ASMN1; SMN2
SCHEMBL2334149 0.79 POLB (0.47) FFAR1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL2336817 0.78 MEN1 (0.52) FFAR1CRHBPCRHR2KMT2ASMN1; SMN2
SCHEMBL3640649 0.75 BRAF (0.47) MAPT
SCHEMBL2862074 0.75 CDK8 (0.51) FFAR1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL2862069 0.75 CDK8 (0.51) FFAR1KMT2ASMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed