SCHEMBL8264704

SCHEMBL8264704

Clc1sc(NCC2C=CC=CC2)nc1-c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.36
MAPK14 Q16539 3/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL1017978 0.73 KMT2A (0.51) HIF1ANPC1RAB9ASMN1; SMN2
SCHEMBL16137403 0.64 NPC1 (0.60) NPC1POLBRAB9ASMN1; SMN2ADORA2A
SCHEMBL23085138 0.63 CCNA2 (0.33) MAPK14HIF1ASMN1; SMN2ADORA2AADORA1
SCHEMBL5174953 0.62 KCNN1 (0.61) NPC1POLBRAB9A
SCHEMBL19882763 0.57 CES2 (0.42) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL24976005 0.57 SIGMAR1 (0.34)
SCHEMBL995168 0.57 ALDH1A1 (0.38) HIF1ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL15993666 0.56 KDR (0.44) HIF1ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL323086 0.56 KDM4E (0.68) HIF1ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL9393912 0.55 KDM4E (0.48) HIF1ANPC1POLBRAB9ASMN1; SMN2

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-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO disclosed