SCHEMBL7219736

SCHEMBL7219736

Cc1ccc(C#N)c(C)n1.Cc1cnc(C)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
HRH4 Q9H3N8 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
CHRNB2 P17787 4/20 0.35
CHRNB4 P30926 4/20 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
SCHEMBL7215518 0.84 CHRNB2 (0.42) CYP11B1CYP11B2KMT2AKDM4ESMN1; SMN2
SCHEMBL31253097 0.82 HRH4 (0.45) CYP11B1CYP11B2HRH4MEN1MAPT
SCHEMBL1641172 0.82 HRH4 (0.45) CYP11B1CYP11B2HRH4MEN1MAPT
SCHEMBL21928132 0.71 CYP11B1 (0.38) CYP11B1CYP11B2KMT2AKDM4ESMN1; SMN2
SCHEMBL625135 0.70 NOS3 (0.54) CYP11B1CYP11B2KMT2AKDM4ESMN1; SMN2
SCHEMBL31695297 0.70 NOS3 (0.54) CYP11B1CYP11B2KMT2AKDM4ESMN1; SMN2
SCHEMBL21927209 0.69 HRH4 (0.44) CYP11B1CYP11B2HRH4MEN1MAPT
SCHEMBL2716951 0.68 HRH4 (0.41) CYP11B1CYP11B2HRH4MEN1MAPT
SCHEMBL2011637 0.68 KDM4E (0.47) MEN1KMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL22066216 0.67 HTT (0.42) CYP11B1CYP11B2KDM4ESMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed