SCHEMBL9640908

SCHEMBL9640908

N#Cc1ccc(CCCc2ccc(C#N)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
HSD17B10 Q99714 1/20 0.62
LOXL2 Q9Y4K0 2/20 0.58
CYP2A6 P11509 2/20 0.58
KCNJ1 P48048 1/20 0.57
KCNH2 Q12809 1/20 0.57
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
CYP19A1 P11511 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
DAO P14920 2/20 0.46
IDO1 P14902 2/20 0.45
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL10569888 0.95 TSHR (0.68) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL17857810 0.93 TSHR (0.72) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL10569117 0.92 TSHR (0.71) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL16582463 0.92 TSHR (0.71) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL16582531 0.92 TSHR (0.71) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL1004267 0.89 LOXL2 (0.64) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL8411721 0.89 MAOA (0.58) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL9642642 0.89 LOXL2 (0.54) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL80140 0.86 TSHR (0.55) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL22764103 0.86 TSHR (0.55) TSHRHSD17B10LOXL2CYP2A6KCNJ1

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-112236464-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2024-02-23 CN disclosed
CN-112204076-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2023-10-24 CN disclosed
CN-106083927-B Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes 切弗朗菲利浦化学公司 2018-10-26 CN disclosed
US-20180022996-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180022996-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016096082-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
US-5101411-A Semiconductors HITACHI, LTD. (JP) 1992-03-31 US disclosed