SCHEMBL847002

SCHEMBL847002

O=C(Nc1cnc2ccccc2c1)Oc1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.53
KDR P35968 6/20 0.49
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
ALPL P05186 2/20 0.43
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL846035 0.81 MEN1 (0.62) TMPRSS4KDRMEN1KMT2AKDM4E
SCHEMBL4108874 0.74 KDR (0.63) KDRPOLBCNR2KDM4ERAB9A
SCHEMBL847146 0.73 TMPRSS4 (0.61) TMPRSS4KDRPOLBMEN1KMT2A
SCHEMBL8568774 0.72 KDM4E (0.67) KDRPOLBMEN1KMT2AKDM4E
SCHEMBL28908138 0.71 KDR (0.62) KDRPOLBKDM4ERAB9ANPC1
SCHEMBL15252595 0.70 DGAT1 (0.55) TMPRSS4KDRCNR2KDM4ERAB9A
SCHEMBL7694592 0.69 CNR1 (0.65) TMPRSS4KDRPOLBMEN1KMT2A
SCHEMBL3412727 0.69 F7 (0.58) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL330381 0.69 TMPRSS4 (1.00) TMPRSS4KDRMEN1KMT2ARAB9A
SCHEMBL28795062 0.69 MEN1 (0.59) MEN1KMT2AKDM4ERAB9ANPC1

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-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed