SCHEMBL19999906

SCHEMBL19999906

CCOc1ccnc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
GLA P06280 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL10992349 0.82 KDM4E (0.51) ALDH1A1NPC1TSHRKDM4ETP53
SCHEMBL503826 0.81 CCR1 (0.55) NQO1ALDH1A1MEN1KMT2AMAPT
SCHEMBL31420091 0.81 MAOA (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL22589773 0.81 MAOA (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL13570889 0.81 MAOA (0.45) ALDH1A1MAPTNPC1TSHRRAB9A
SCHEMBL15057318 0.79 CYP11B1 (0.47) GLAALDH1A1MEN1KMT2ANPC1
SCHEMBL20364820 0.79 MAOB (0.44) GLAALDH1A1MEN1KMT2ATSHR
SCHEMBL15146107 0.79 MAOA (0.43) ALDH1A1GAA
SCHEMBL17963030 0.78 MAOA (0.47) ALDH1A1MAPTKDM4ECYP1A2CYP2D6
SCHEMBL2337884 0.77 KDR (0.44) ALDH1A1MAPTKDM4ECYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300157-B1 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG CHEMICAL LTD (KR) 2019-10-16 EP disclosed
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
EP-3300157-A2 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG Chem, Ltd. (KR) 2018-03-28 EP disclosed