SCHEMBL9254635

SCHEMBL9254635

CN(N)C(=O)c1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 11/20 0.52
HSD17B10 Q99714 8/20 0.52
CFTR P13569 1/20 0.52
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
MMP2 P08253 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL30598338 0.85 SMN1; SMN2 (0.55) KDM4EALDH1A1HSD17B10CFTRMAPT
SCHEMBL538290 0.85 SMN1; SMN2 (0.55) KDM4EALDH1A1HSD17B10CFTRMAPT
SCHEMBL29287849 0.83 KDM4E (0.54) KDM4EALDH1A1HSD17B10MAPTGAA
Hydrochloric Acid SCHEMBL15569994 0.83 SMN1; SMN2 (0.53) KDM4EALDH1A1HSD17B10CFTRMAPT
SCHEMBL10609398 0.83 KDM4E (0.56) KDM4EALDH1A1HSD17B10CFTRMAPT
SCHEMBL28814836 0.83 KDM4E (0.56) KDM4EALDH1A1HSD17B10CFTRMAPT
SCHEMBL27938205 0.82 KDM4E (0.51) KDM4EALDH1A1HSD17B10CFTRMAPT
SCHEMBL6832097 0.79 KMT2A (0.56) ALDH1A1MAPTGAAHPGDTSHR
SCHEMBL23891117 0.79 KDM4E (0.53) KDM4EALDH1A1HSD17B10CFTRMAPT
SCHEMBL3628079 0.79 KDM4E (0.53) KDM4EALDH1A1HSD17B10CFTRMAPT

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
US-5441948-A Treatment of angina pectoris EGIS GYOGYSZERGYAR RT. (HU) 1995-08-15 US disclosed