SCHEMBL8969246

SCHEMBL8969246

CNC(=O)Oc1ccc2nc3ccccn3c(=N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 9/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 4/20 0.42
GLA P06280 4/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HTR6 P50406 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL8969245 0.83 MAPT (0.46) MAPT
SCHEMBL8969849 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL8969928 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL8969448 0.76 ACHE (0.37) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL8968998 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL8968480 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL8969541 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL8969938 0.71 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL8968953 0.71 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL8968924 0.70 HTR6 (0.47) ALDH1A1KDM4EHPGDHSD17B10GLA

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed