SCHEMBL5746993

SCHEMBL5746993

N#Cc1c2ccccc2cc2cc(N)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.56
ALDH1A1 P00352 7/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HBB P68871 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLAU P00749 1/20 0.46
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL5746374 0.89 MDM4 (0.51) MDM4ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL29391266 0.84 ALDH1A1 (0.58) MDM4ALDH1A1CYP3A4HSD17B10HIF1A
SCHEMBL32211 0.84 ALDH1A1 (0.58) MDM4ALDH1A1CYP3A4HSD17B10HIF1A
SCHEMBL5211903 0.81 ALDH1A1 (0.50) MDM4ALDH1A1HSD17B10HIF1AKDM4E
SCHEMBL16107416 0.79 ALDH1A1 (0.58) ALDH1A1CYP3A4HSD17B10ALOX15CASP1
SCHEMBL12679885 0.78 ALDH1A1 (0.50) MDM4ALDH1A1HSD17B10HIF1AKDM4E
SCHEMBL14743628 0.77 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10ALOX15CASP1
SCHEMBL14569540 0.76 ALDH1A1 (0.42) MDM4ALDH1A1HSD17B10HIF1AKDM4E
SCHEMBL5746926 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4HSD17B10ALOX15CASP1
SCHEMBL11845980 0.76 ALDH1A1 (0.44) MDM4ALDH1A1CYP3A4HSD17B10HIF1A

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-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed