SCHEMBL1164553

SCHEMBL1164553

N#C[C@H]1CC[C@H](C#N)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL6618 1.00
SCHEMBL1343696 1.00 KDM4E (0.34) KDM4EALDH1A1CA1CA2
SCHEMBL45941 1.00 KDM4E (0.34) KDM4EALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL1200019 0.96
SCHEMBL28386367 0.96
Ammonia Solution, Strong SCHEMBL16007514 0.96
Hydrochloric Acid SCHEMBL5048648 0.92
SCHEMBL820230 0.89 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL820635 0.89 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL2154068 0.89 KDM4E (0.31) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626344-B1 METHOD FOR PRODUCING TRANS-1,4-BIS(AMINOMETHYL)CYCLOHEXANE MITSUI CHEMICALS INC (JP) 2019-05-15 EP claimed
US-8865939-B2 Method for producing trans-1,4-bis(aminomethyl) cyclohexane MITSUI CHEMICALS, INC. (JP) 2014-10-21 US claimed
EP-2626344-A1 METHOD FOR PRODUCING TRANS-1,4-BIS(AMINOMETHYL)CYCLOHEXANE Mitsui Chemicals, Inc. (JP) 2013-08-14 EP claimed
US-20130197270-A1 METHOD FOR PRODUCING TRANS-1,4-BIS(AMINOMETHYL) CYCLOHEXANE MITSUI CHEMICALS, INC. (JP) 2013-08-01 US claimed
JP-3019695-A None JP disclosed
JP-2124096-A None JP disclosed
JP-63209592-A None JP disclosed
JP-3043082-A None JP disclosed
JP-63129988-A None JP disclosed
JP-63012291-A None JP disclosed
JP-63294793-A None JP disclosed
JP-63010752-A None JP disclosed
EP-0119271-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS. STANFORD RES INST INT (US) 1984-09-26 EP disclosed
EP-0119192-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS SRI INTERNATIONAL (US) 1984-09-26 EP disclosed
WO-1984001161-A1 LIQUID CRYSTALLINE POLY(2,6-BENZOTHIAZOLE) COMPOSITIONS, PROCESS AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 WO disclosed
WO-1984001160-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 WO disclosed
WO-1984001162-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 WO disclosed
JP-H00343082-A 0001-01-01 JP disclosed
JP-H00319695-A 0001-01-01 JP disclosed
JP-S06312291-A 0001-01-01 JP disclosed