SCHEMBL8968440

SCHEMBL8968440

N=c1c2c(Br)cccc2nc2ccccn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
GLA P06280 5/20 0.44
GAA P10253 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 3/20 0.42
NPC1 O15118 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 4/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL8969236 0.82 KDM4E (0.41) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968369 0.81 GAA (0.44) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL28687784 0.81 KDM4E (0.59) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968402 0.81 ALDH1A1 (0.44) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968556 0.81 KDM4E (0.50) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968682 0.80 KDM4E (0.48) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968384 0.80 KDM4E (0.39) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968244 0.80 KDM4E (0.39) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968229 0.78 HTR6 (0.45) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969902 0.78 HSD17B10 (0.42) 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