SCHEMBL9543825

SCHEMBL9543825

C=CCNc1nn(C)cc1C(=O)OCC.CCOC(=O)c1cn(C)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 4/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HSD17B10 Q99714 5/20 0.38
NPC1 O15118 3/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.37
CSNK1D P48730 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL9296106 0.93 KDM4E (0.47) ALDH1A1KDM4EHPGDLMNAL3MBTL1
SCHEMBL645045 0.83 ADORA3 (0.54) ALDH1A1KDM4EHPGDRAB9AADORA3
SCHEMBL15307199 0.78 HPGD (0.39) ALDH1A1KDM4EHPGDLMNAL3MBTL1
SCHEMBL15307200 0.76 HPGD (0.48) ALDH1A1KDM4EHPGDLMNAL3MBTL1
SCHEMBL15777482 0.75 ADORA2A (0.43) ALDH1A1KDM4EHPGDLMNARAB9A
SCHEMBL12429213 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDRAB9AADORA3
SCHEMBL24831751 0.74 RAB9A (0.45) ALDH1A1KDM4EHPGDRAB9AADORA3
SCHEMBL10564142 0.73 KMT2A (0.43) ALDH1A1KDM4EHPGDLMNAL3MBTL1
SCHEMBL27478866 0.71 RAB9A (0.36) ALDH1A1HPGDL3MBTL1RAB9AADORA3
SCHEMBL11564068 0.71 F2 (0.52) ALDH1A1KDM4EHPGDADORA3ADORA2A

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
WO-1993017681-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed