SCHEMBL8969330

SCHEMBL8969330

N=c1c2ccc(Cl)cc2nc2ccccn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 6/20 0.59
GLA P06280 5/20 0.59
GAA P10253 5/20 0.59
POLB P06746 4/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 4/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
DPP4 P27487 1/20 0.42
HTT P42858 1/20 0.40
HTR6 P50406 2/20 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
SCHEMBL8968953 0.88 KDM4E (0.63) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL8969559 0.83 KDM4E (0.62) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL8969253 0.82 HTR6 (0.43) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL8969987 0.82 ALDH1A1 (0.43) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL8968964 0.82 KDM4E (0.43) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL28355495 0.82 KDM4E (0.67) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL8968968 0.79 KDM4E (0.53) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL8968825 0.78 MEN1 (0.47) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL8968333 0.78 HTR6 (0.44) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL8969191 0.77 KDM4E (0.44) KDM4EALDH1A1GLAGAAPOLB

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