SCHEMBL9767534

SCHEMBL9767534

CCSc1nnc(CO)n1Cc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PDE6D O43924 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9589231 0.89 HTT (0.47) MEN1TP53KMT2ASMN1; SMN2HTT
SCHEMBL9402303 0.84 KDM4E (0.41) MEN1TP53KMT2AKDM4ESMN1; SMN2
SCHEMBL9767502 0.81 ALDH1A1 (0.52) MEN1TP53KMT2AKDM4ESMN1; SMN2
SCHEMBL9402239 0.77 ALDH1A1 (0.46) ALDH1A1
SCHEMBL9402332 0.77 CYP3A4 (0.60) MEN1TP53KMT2AKDM4ESMN1; SMN2
SCHEMBL9402280 0.76 KDM4E (0.70) MEN1KMT2AKDM4ESMN1; SMN2HTT
SCHEMBL9402219 0.71
SCHEMBL9402246 0.70 ALDH1A1 (0.51) KMT2AHTTALDH1A1MAPT
SCHEMBL5655480 0.70 ALDH1A1 (0.35) MEN1TP53KMT2AKDM4ESMN1; SMN2
SCHEMBL9402365 0.67 TLR7 (0.50)

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-5045540-A Amide or urea compounds containing imidazole groups WARNER-LAMBERT CO. (US) 1991-09-03 US disclosed
US-5041552-A Treatment of hypertension, heart failure, glaucoma and hyperaldosteronism WARNER-LAMBERT COMPANY (US) 1991-08-20 US disclosed