SCHEMBL846477

SCHEMBL846477

O=C(O)Nc1cnc2ccccc2c1.c1ccc(C2CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.59
RAB9A P51151 10/20 0.55
NPC1 O15118 9/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 6/20 0.54
MITF O75030 1/20 0.54
XBP1 P17861 1/20 0.54
PAX8 Q06710 1/20 0.54
KLF5 Q13887 1/20 0.54
HSD17B10 Q99714 3/20 0.53
TP53 P04637 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL846516 0.89 TRPV1 (0.65) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL651159 0.87 KDR (0.74) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13763264 0.85 KDR (0.71) KDRRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL846245 0.80 TRPV1 (0.56) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4899760 0.80 KDR (0.60) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL845922 0.79 KDR (0.62) KDRRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL846873 0.77 SMN1; SMN2 (0.59) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL846872 0.77 SMN1; SMN2 (0.59) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27866684 0.77 NPC1 (0.80) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23880568 0.76 KDR (0.70) KDRRAB9ANPC1SMN1; SMN2MAPT

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