SCHEMBL8968953

SCHEMBL8968953

N=c1c2cc(Cl)ccc2nc2ccccn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.63
ALDH1A1 P00352 6/20 0.63
GLA P06280 5/20 0.63
GAA P10253 5/20 0.63
HPGD P15428 3/20 0.63
POLB P06746 3/20 0.63
HSD17B10 Q99714 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
DPP4 P27487 1/20 0.42
HTT P42858 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8969330 0.88 KDM4E (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8969559 0.83 KDM4E (0.62) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8969938 0.82 KDM4E (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8969541 0.82 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8968998 0.82 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL28659594 0.82 KDM4E (0.67) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8969532 0.78 KDM4E (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8968924 0.78 HTR6 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8969599 0.78 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8969191 0.77 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD

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