SCHEMBL18901030

SCHEMBL18901030

CCCCCc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.41
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.39
UTRN P46939 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
CETP P11597 1/20 0.35
PPARG P37231 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL12775018 0.99 AGPAT2 (0.41) AGPAT2FLT1KDRKDM4EALDH1A1
SCHEMBL12955409 0.97 AGPAT2 (0.42) AGPAT2FLT1KDRKDM4EALDH1A1
SCHEMBL1025865 0.88 AGPAT2 (0.47) AGPAT2FLT1KDRKDM4EALDH1A1
SCHEMBL1026626 0.83 AGPAT2 (0.42) AGPAT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1025402 0.83 AGPAT2 (0.47) AGPAT2FLT1KDRKDM4EALDH1A1
SCHEMBL1023875 0.82 AGPAT2 (0.39) AGPAT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1023139 0.82 AGPAT2 (0.41) AGPAT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1025035 0.82 AGPAT2 (0.43) AGPAT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1025845 0.80 AGPAT2 (0.42) AGPAT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1024552 0.79 PDE10A (0.49) AGPAT2KDM4EALDH1A1HPGDHSD17B10

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-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed