SCHEMBL8969987

SCHEMBL8969987

Cc1ccc2c(=N)n3ccccc3nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 8/20 0.43
GAA P10253 7/20 0.43
GLA P06280 6/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8968998 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8969191 0.83 KDM4E (0.44) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8968964 0.82 KDM4E (0.43) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8969330 0.82 KDM4E (0.59) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8969253 0.82 HTR6 (0.43) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL28351806 0.82 KDM4E (0.67) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8968333 0.81 HTR6 (0.44) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8968825 0.78 MEN1 (0.47) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8969408 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL24553486 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EGAAGLAHPGD

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