SCHEMBL317340

SCHEMBL317340

CCCCCCCCc1cccc(-c2ccccc2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CD274 Q9NZQ7 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
PPARA Q07869 2/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 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
SCHEMBL11292965 1.00 TSHR (0.44) TSHRHSD17B10LIPGNR1H2NR1H3
SCHEMBL15063661 1.00 TSHR (0.44) TSHRHSD17B10LIPGNR1H2NR1H3
SCHEMBL9620444 1.00 TSHR (0.44) TSHRHSD17B10LIPGNR1H2NR1H3
SCHEMBL1641624 1.00 TSHR (0.44) TSHRHSD17B10LIPGNR1H2NR1H3
SCHEMBL365486 0.98 CD274 (0.44) TSHRHSD17B10LIPGNR1H2NR1H3
SCHEMBL27569853 0.94 CD274 (0.44) CD274KDM4EALDH1A1MAPK1SMN1; SMN2
Acrylic Acid SCHEMBL28994845 0.89 THRA (0.47) HSD17B10KDM4EPPARABIDMCL1
SCHEMBL29210714 0.88 KDM4E (0.47) CD274KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL6961873 0.87 CYP3A4 (0.47) TSHRHSD17B10LIPGCD274KDM4E
SCHEMBL28207281 0.83 LIPG (0.51) LIPGNR1H2NR1H3PPARABID

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62086329-A None JP disclosed
JP-61013225-A None JP disclosed
JP-58190924-A None JP disclosed
JP-60079090-A None JP disclosed
JP-60191227-A None JP disclosed
JP-59186241-A None JP disclosed
JP-61281193-A None JP disclosed
JP-61093429-A None JP disclosed
JP-61162024-A None JP disclosed
US-9310263-B2 Adiabatic scanning calorimeter KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-04-12 US disclosed
JP-S60191227-A LIQUID CRYSTAL LIGHT VALVE FOR THERMAL WRITING NEC CORP 1985-09-28 JP disclosed
JP-S6079090-A LIQUID CRYSTAL NEC CORP 1985-05-04 JP disclosed
EP-0125692-A1 Laser machining apparatus NEC CORPORATION (JP) 1984-11-21 EP disclosed
JP-S59186241-A PROJECTION TYPE LIQUID CRYSTAL DISPLAY EQUIPMENT NEC CORP 1984-10-23 JP disclosed
US-4470669-A Liquid crystal display device NIPPON ELECTRIC CO., LTD. (JP) 1984-09-11 US disclosed
US-4422732-A Beam addressed electrooptic display system DITZIK RICHARD J 1983-12-27 US disclosed
JP-S58190924-A THERMAL WRITING LIQUID CRYSTAL DISPLAY ELEMENT NEC CORP 1983-11-08 JP disclosed
EP-0065397-A2 Thermal barrier for thermally addressed liquid crystal devices MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-11-24 EP disclosed
EP-0063447-A1 Thermally addressed smectic liquid crystal device MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-10-27 EP disclosed
US-3999838-A Beam addressed liquid crystal cells INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1976-12-28 US disclosed