SCHEMBL8969938

SCHEMBL8969938

N=c1c2cc(Br)ccc2nc2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
GLA P06280 5/20 0.46
GAA P10253 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 4/20 0.44
POLB P06746 3/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
ATM Q13315 1/20 0.40
HTR6 P50406 3/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL8968964 0.88 KDM4E (0.43) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968998 0.82 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968953 0.82 KDM4E (0.63) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL28675231 0.82 KDM4E (0.67) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL30792513 0.82 KDM4E (0.67) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969541 0.82 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL11265359 0.81 KDM4E (0.65) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968924 0.78 HTR6 (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969532 0.78 KDM4E (0.43) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL21616811 0.78 KDM4E (0.66) 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