SCHEMBL11037564

SCHEMBL11037564

Cc1nc(N)c(C#N)c(C)c1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.77
ADORA2A P29274 5/20 0.77
HTT P42858 2/20 0.77
ADRA2A P08913 1/20 0.77
KDM4E B2RXH2 10/20 0.65
RXFP1 Q9HBX9 1/20 0.64
ALDH1A1 P00352 8/20 0.57
HPGD P15428 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALOX15 P16050 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CASP1 P29466 1/20 0.51
BLM P54132 1/20 0.51
ADORA1 P30542 3/20 0.50

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
SCHEMBL5483513 0.87 HSD17B10 (0.72) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL11008493 0.81 HTT (0.59) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL7011406 0.79 ADORA2A (0.70) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL5483517 0.79 ADORA2A (0.60) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL5483521 0.79 KDM4E (0.64) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL4072588 0.78 SQOR (0.56) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL8974906 0.78 HSD17B10 (0.68) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL6256113 0.78 HSD17B10 (0.72) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL8299115 0.77 KDM4E (0.80) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL3372013 0.74 KDM4E (0.69) HSD17B10ADORA2AHTTADRA2AKDM4E

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-4508722-A 1-Benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1985-04-02 US disclosed
US-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 US disclosed