SCHEMBL8838482

SCHEMBL8838482

COCc1cnc2c(N)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.44
PARP1 P09874 1/20 0.43
HPGDS O60760 1/20 0.36
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
PSMD14 O00487 1/20 0.35
COPS5 Q92905 1/20 0.35
CA2 P00918 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL8099182 0.81 PDE4A (0.40) PARP1HPGDSGRM5KDM4EPSMD14
SCHEMBL8811070 0.81 HPGDS (0.56) PDE10APARP1HPGDSTDP1LMNA
SCHEMBL7589324 0.81 KDM4E (0.57) PDE10APARP1KDM4E
SCHEMBL16880578 0.80 PARP1 (0.44) PDE10APARP1KDM4ETDP1LMNA
SCHEMBL8838403 0.77 PDE10A (0.51) PDE10APARP1KDM4ETDP1LMNA
SCHEMBL28076889 0.77 PARP1 (0.56) PARP1HPGDSKDM4ELMNAPSMD14
SCHEMBL26964134 0.76 PARP1 (0.44) PDE10APARP1KDM4ETDP1LMNA
SCHEMBL10320559 0.76 PARP1 (0.45) PDE10APARP1HPGDSKDM4E
SCHEMBL28046381 0.74 PARP1 (0.40) PARP1KDM4E
SCHEMBL3150525 0.73 CYP1A2 (0.52) PDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089758-C Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID CO (US) 2002-08-28 CN disclosed
US-5625068-A Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
CN-1138035-A Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID CO (US) 1996-12-18 CN disclosed
EP-0747361-A1 Substituted quinoline herbicide intermediates and process American Cyanamid Company (US) 1996-12-11 EP disclosed