SCHEMBL9764204

SCHEMBL9764204

C=Cc1ccnc(CCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
IDO1 P14902 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 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
SCHEMBL28290080 0.93 KCNH2 (0.43) LMNAKDM4ECYP3A4TSHRGABRP
SCHEMBL28167678 0.93 KCNH2 (0.43) LMNAKDM4ECYP3A4TSHRGABRP
SCHEMBL3696387 0.93 KCNH2 (0.43) LMNAKDM4ECYP3A4TSHRGABRP
Bromide SCHEMBL28288622 0.92 KCNH2 (0.42) LMNAKDM4ECYP3A4TSHRGABRP
Bromide SCHEMBL30568709 0.92 KCNH2 (0.42) LMNAKDM4ECYP3A4TSHRGABRP
SCHEMBL9764334 0.89 KDM4E (0.49) LMNAKDM4ECYP3A4TSHRTDP1
SCHEMBL28787234 0.83 KDM4E (0.39) LMNAKDM4ECYP3A4TSHRGABRP
SCHEMBL321696 0.82 CYP1A2 (0.44) LMNAKDM4ECYP3A4TSHRNOS2
Iodide SCHEMBL27088326 0.80 CYP1A2 (0.43) LMNAKDM4ECYP3A4TSHRNOS2
Bromide SCHEMBL28155749 0.80 CYP1A2 (0.43) LMNAKDM4ECYP3A4TSHRNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3980662-A HYDRATING A NITRILE COMPOUND WITH WATER IN A CATALYST OF A COPPER-CONTAINING POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-09-14 US claimed
CN-110387019-A It is a kind of for removing the preparation method and applications of 2,4-D pesticide residue molecularly imprinted polymer 河南师范大学 2019-10-29 CN disclosed
CN-104093814-B Reactive mesogenic compositions with conductive additives 默克专利股份有限公司 2017-02-15 CN disclosed
CN-100595219-C Process for producing modified propylene polymer SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
CN-101133029-A Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO INC (US) 2008-02-27 CN disclosed
CN-101065412-A Olefin polymer composition powder and modified olefin polymer SUMITOMO CHEMICAL CO (JP) 2007-10-31 CN disclosed
CN-1772781-A Process for producing modified propylene polymer SUMITOMO CHEMICAL CO (JP) 2006-05-17 CN disclosed
US-5018380-A Organometallic gas carrier in interpenetrating polymer network ALLIED-SIGNAL INC. (US) 1991-05-28 US disclosed
US-4627859-A ORGANOMETALLIC GAS CARRIER INTERDISPERSED IN INTERPENE TRATING POLYMER NETWORK MATRIX ALLIED CORPORATION (US) 1986-12-09 US disclosed
US-3980662-A HYDRATING A NITRILE COMPOUND WITH WATER IN A CATALYST OF A COPPER-CONTAINING POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-09-14 US disclosed