SCHEMBL8969391

SCHEMBL8969391

N=c1c2ccccc2nc2n1CCC2Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
BCHE P06276 2/20 0.47
CCR3 P51677 5/20 0.42
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GLA P06280 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
NQO2 P16083 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL5511124 0.82 ACHE (0.69) ACHEBCHEKDM4EHSD17B10L3MBTL1
SCHEMBL8968931 0.82 ACHE (0.47) ACHEBCHECCR3KDM4EHSD17B10
SCHEMBL8970476 0.82 ACHE (0.47) ACHEBCHECCR3KDM4EHSD17B10
SCHEMBL5506588 0.74 ACHE (0.62) ACHEBCHEKDM4EHSD17B10L3MBTL1
SCHEMBL8970050 0.70 CCR3 (0.40) ACHEBCHECCR3KDM4EHSD17B10
SCHEMBL3385589 0.67 ACHE (0.67) ACHEBCHEKDM4EHSD17B10L3MBTL1
SCHEMBL5509472 0.66 ACHE (0.43) ACHEBCHEL3MBTL1ATMALDH1A1
SCHEMBL5505730 0.66 ACHE (0.46) ACHEBCHE
SCHEMBL5513404 0.66 ACHE (0.46) ACHEBCHEKDM4EHSD17B10ALDH1A1
SCHEMBL9541773 0.66 MEN1 (0.66) ACHEBCHEKDM4EHSD17B10L3MBTL1

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