SCHEMBL8968964

SCHEMBL8968964

N=c1c2ccc(Br)cc2nc2ccccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
GLA P06280 5/20 0.43
GAA P10253 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 3/20 0.42
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HTR6 P50406 3/20 0.36
CYP19A1 P11511 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
SCHEMBL8969938 0.88 KDM4E (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969987 0.82 ALDH1A1 (0.43) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969253 0.82 HTR6 (0.43) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969330 0.82 KDM4E (0.59) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968333 0.78 HTR6 (0.44) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968825 0.78 MEN1 (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969236 0.78 KDM4E (0.41) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL19735198 0.78 KDM4E (0.60) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969191 0.77 KDM4E (0.44) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969559 0.77 KDM4E (0.62) KDM4EALDH1A1GLAGAASMN1; SMN2

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