SCHEMBL9815282

SCHEMBL9815282

ClCC1=NCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
NOS3 P29474 2/20 0.53
NOS2 P35228 1/20 0.53
MAOA P21397 2/20 0.44
CES1 P23141 1/20 0.42
GLA P06280 1/20 0.37
RCE1 Q9Y256 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.34
MAOB P27338 1/20 0.34
DRD4 P21917 2/20 0.34
SLC22A1 O15245 1/20 0.34
CACNA1F O60840 1/20 0.34
NTRK1 P04629 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 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
Hydrochloric Acid SCHEMBL3452241 0.98 KDM4E (0.57) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL7509399 0.82 KDM4E (0.60) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL29361631 0.82 KDM4E (0.60) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL22995932 0.81 KDM4E (0.63) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL7819962 0.81 KDM4E (0.58) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL30952113 0.81 KDM4E (0.63) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL10881436 0.78 KDM4E (0.55) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL29757769 0.78 KDM4E (0.55) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL9095677 0.78 KDM4E (0.55) ALDH1A1KDM4ENOS3NOS2MAOA
SCHEMBL5009247 0.78 KDM4E (0.55) ALDH1A1KDM4ENOS3NOS2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102093346-B Preparation method of praziquantel ZHEJIANG GENEBEST PHARMACEUTICAL CO LTD 2012-09-05 CN claimed
CN-102093346-A Preparation method of praziquantel ZHEJIANG GENEBEST PHARMACEUTICAL CO LTD 2011-06-15 CN claimed
CN-102093346-B Preparation method of praziquantel ZHEJIANG GENEBEST PHARMACEUTICAL CO LTD 2012-09-05 CN disclosed
CN-102093346-A Preparation method of praziquantel ZHEJIANG GENEBEST PHARMACEUTICAL CO LTD 2011-06-15 CN disclosed
EP-0232989-B1 ISOQUINOLINE DERIVATIVES Dr. Lo. Zambeletti S.p.A. (IT) 1991-08-21 EP disclosed
US-4806547-A Isoquinoline derivatives, analgesic compounds thereof and method of treating pain DR. LO. ZAMBELETTI SPA (IT) 1989-02-21 US disclosed
EP-0232989-A2 Isoquinoline derivatives Dr. Lo. Zambeletti S.p.A. (IT) 1987-08-19 EP disclosed