SCHEMBL6607968

SCHEMBL6607968

CC1(Cl)C=Cc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAD52 P43351 1/20 0.31
NOS2 P35228 2/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL29789697 0.79 MAPT (0.50) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL2255782 0.79 MAPT (0.50) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL1726909 0.76 GAA (0.46) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL21145451 0.76 GAA (0.46) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL2904681 0.76 GAA (0.46) GAAMAPT
SCHEMBL1285713 0.76 MAPT (0.46) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL20338456 0.76 MAPT (0.42) GAAMAPT
Hydrochloric Acid SCHEMBL6991456 0.74 MAPT (0.41) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9293762 0.73 GAA (0.43) GAAMAPT
SCHEMBL2125224 0.73 GAA (0.43) GAAMAPTALDH1A1CYP3A4HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102933212-B Novel combination and use HELPERBY THERAPEUTICS LTD 2015-07-22 CN disclosed
CN-101795688-B Application of 4- (pyrrolidine-1-yl) quinoline compound in preparation of medicine for killing clinically latent microorganisms HELPERBY THERAPEUTICS LTD 2015-05-20 CN disclosed
CN-101594866-B Topical formulations HELPERBY THERAPEUTICS LTD. (GB) 2014-10-22 CN disclosed
CN-101351203-B Application of pyrroloquinoline compound in killing clinically latent microorganisms HELPERBY THERAPEUTICS LTD 2013-12-04 CN disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed