SCHEMBL16626149

SCHEMBL16626149

CCOC(=O)n1ccnc1-c1nc(C=O)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.35
JAK2 O60674 4/20 0.35
LPO P22079 4/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL29117082 0.73 LPO (0.49) LPOCYP1A2LMNAKDM4EALDH1A1
Benzene SCHEMBL27312447 0.70 LPO (0.46) LPOCYP1A2LMNAKDM4EALDH1A1
SCHEMBL16626152 0.68 TNK2 (0.34) JAK3
SCHEMBL29954925 0.68 KDM4E (0.43) JAK3JAK2CYP1A2LMNAKDM4E
SCHEMBL27528650 0.67 CDC7 (0.47) LPOCYP1A2LMNAKDM4EALDH1A1
SCHEMBL165585 0.67 LPO (0.46) LPOCYP1A2LMNAKDM4EALDH1A1
SCHEMBL8710113 0.66 LPO (0.45) LPOCYP1A2LMNAKDM4EALDH1A1
SCHEMBL2456169 0.65 CCR1 (0.37)
SCHEMBL29113990 0.65 ALDH1A1 (0.50) CYP1A2LMNAKDM4EALDH1A1HPGD
SCHEMBL15331275 0.65 ALDH1A1 (0.49) CYP1A2LMNAKDM4EALDH1A1HPGD

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-2935489-B1 ORGANOPOLYSILOXANE COMPOSITION SUITABLE FOR VULCANISATION INTO AN ELASTOMER AT ROOM TEMPERATURE AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS ELKEM SILICONES FRANCE SAS (FR) 2018-11-28 EP disclosed
EP-2935492-B1 ARTICLE WITH ANTIFOULING PROPERTIES, INTENDED FOR AQUATIC USES AND, IN PARTICULAR, FOR MARINE USES BLUESTAR SILICONES FRANCE (FR) 2016-10-26 EP disclosed
US-9006316-B2 Organometallic compositions and coating compositions KING INDUSTRIES, INC. (US) 2015-04-14 US disclosed