SCHEMBL14949690

SCHEMBL14949690

O=C(O)Nc1ccc(Oc2ccc([N+](=O)[O-])nc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.40
KDR P35968 5/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FLT1 P17948 1/20 0.38
MAPK14 Q16539 5/20 0.37
MAPK13 O15264 2/20 0.37
ABL1 P00519 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FGFR2 P21802 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL14949687 1.00 CDK8 (0.40) CDK8KDRMEN1KMT2ARAB9A
SCHEMBL4283781 0.91 LMNA (0.40) CDK8KDRMEN1KMT2ARAB9A
SCHEMBL4283775 0.91 LMNA (0.40) CDK8KDRMEN1KMT2ARAB9A
SCHEMBL3642907 0.84 ALDH1A1 (0.41) CDK8MEN1KMT2ALMNAALDH1A1
SCHEMBL3642909 0.84 ALDH1A1 (0.41) CDK8MEN1KMT2ALMNAALDH1A1
SCHEMBL12892597 0.83 NPC1 (0.44) CDK8RAB9AMAPTSMN1; SMN2
SCHEMBL3641659 0.83 KMT2A (0.40) CDK8MEN1KMT2ARAB9ALMNA
SCHEMBL3641663 0.83 KMT2A (0.40) CDK8MEN1KMT2ARAB9ALMNA
SCHEMBL4684027 0.81 MEN1 (0.47) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL4686951 0.81 MEN1 (0.54) MEN1KMT2ARAB9ALMNAALDH1A1

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
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed