SCHEMBL20169191

SCHEMBL20169191

CCc1cccc2nc(C)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.46
TNKS2 Q9H2K2 2/20 0.44
DAO P14920 2/20 0.42
ELANE P08246 2/20 0.42
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
DDAH1 O94760 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14162132 0.84 PARP1 (0.43) PARP1TNKS2KDM4ENPC1RAB9A
SCHEMBL2900206 0.81 DDAH1 (0.55) TNKS2DAOELANEALDH1A1LMNA
SCHEMBL13469301 0.81 GABRA1 (0.43) PARP1TNKS2ELANEALDH1A1GABRA1
SCHEMBL29037270 0.80 TLR8 (0.45)
Iodide SCHEMBL2900267 0.80 DDAH1 (0.53) TNKS2DAOELANEALDH1A1LMNA
SCHEMBL14365376 0.80 MEN1 (0.44) TNKS2DAOELANEALDH1A1LMNA
SCHEMBL10835916 0.80 DAO (0.41) TNKS2DAOELANEALDH1A1LMNA
Iodide SCHEMBL2892306 0.80 DDAH1 (0.53) TNKS2DAOELANEALDH1A1LMNA
SCHEMBL13469303 0.80 GAA (0.46) PARP1TNKS2DAOALDH1A1LMNA
SCHEMBL7617298 0.79 CYP3A4 (0.44) PARP1TNKS2ELANEGAA

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-105131645-B A kind of cotton reactive fluorescent dye, preparation and application 响水县嘉禾纺织制衣有限公司 2018-02-09 CN claimed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
CN-110128843-A Fluorescent dye and its preparation method and application 深圳大学 2019-08-16 CN disclosed
WO-2019157458-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2019-08-15 WO disclosed
CN-108192376-A A kind of Cyanine dyestuff and preparation method 深圳大学 2018-06-22 CN disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
CN-105131645-B A kind of cotton reactive fluorescent dye, preparation and application 响水县嘉禾纺织制衣有限公司 2018-02-09 CN disclosed