SCHEMBL1034199

SCHEMBL1034199

O=C(Nc1ccc(C(F)(F)F)cc1C1CCNCC1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRPK1 Q96SB4 2/20 0.51
KDR P35968 1/20 0.51
SRPK2 P78362 1/20 0.51
SRPK3 Q9UPE1 1/20 0.51
RXFP1 Q9HBX9 2/20 0.50
P2RY14 Q15391 2/20 0.47
BRAF P15056 1/20 0.46
HTR2C P28335 2/20 0.44
KDM4C Q9H3R0 1/20 0.44
TRPA1 O75762 1/20 0.42
CRACR2A Q9BSW2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SCN9A Q15858 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
SCHEMBL2681577 0.87 MEN1 (0.44) SRPK1KDRSRPK2SRPK3RXFP1
SCHEMBL1035169 0.86 HTR1F (0.48) P2RY14
SCHEMBL1846198 0.82 P2RY14 (0.49) P2RY14CRACR2A
SCHEMBL14453579 0.75 BRAF (0.65) SRPK1KDRSRPK2SRPK3RXFP1
SCHEMBL1027433 0.75 KDR (0.58) SRPK1KDRSRPK2SRPK3RXFP1
SCHEMBL20448230 0.74 SRPK1 (0.44) SRPK1KDRSRPK2SRPK3RXFP1
SCHEMBL14453684 0.74 PTGS1 (0.61) SRPK1KDRSRPK2SRPK3RXFP1
SCHEMBL1031737 0.73 HIF1A (0.51) SRPK1KDRSRPK2SRPK3HTR2C
SCHEMBL2681631 0.73 MAP4K1 (0.46)
SCHEMBL1033839 0.72 MEN1 (0.47) SRPK1KDRSRPK2SRPK3

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
WO-2011003684-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-13 WO disclosed