SCHEMBL1997212

SCHEMBL1997212

N#CCN(CC#N)CCN(CC#N)CC#N

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LCK P06239 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
SCHEMBL11414953 0.96 CYP1A2 (0.46) CYP1A2MAPK1
SCHEMBL59753 0.84 CYP1A2 (0.53) CYP1A2MAPK1ALDH1A1TDP1
Water SCHEMBL10884100 0.84 CYP1A2 (0.53) CYP1A2MAPK1ALDH1A1TDP1
SCHEMBL11494179 0.84 CYP1A2 (0.53) CYP1A2MAPK1ALDH1A1TDP1
SCHEMBL20369039 0.83 CYP1A2 (0.48) CYP1A2MAPK1ALDH1A1
SCHEMBL64582 0.81 CYP1A2 (0.44) CYP1A2MAPK1
SCHEMBL13083214 0.81 CYP1A2 (0.40) CYP1A2MAPK1TDP1
SCHEMBL1263288 0.81 LCK (0.52) CYP1A2MAPK1LCK
SCHEMBL11549049 0.80 CYP1A2 (0.50) CYP1A2MAPK1ALDH1A1TDP1
SCHEMBL11125071 0.77 CYP1A2 (0.48) CYP1A2MAPK1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118018431-A Classified flow prediction method for energy digital twin network 南京优速网络科技有限公司 2024-05-10 CN claimed
CN-117958248-A Method for preventing and controlling altitude mouse and rabbit by utilizing eimeria 中国科学院西北高原生物研究所 2024-05-03 CN claimed
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 CN claimed
CN-101391911-B Method for preparing organic fertilizer by using aminonitrile waste liquid SICHUAN TIANZHENG CHEMICAL INDUSTRY CO LTD 2011-07-20 CN claimed
CN-101391911-A Method for preparing organic fertilizer by using aminonitrile waste liquid SICHUAN TIANZHENG CHEMICAL IND (CN) 2009-03-25 CN claimed
EP-1207149-B1 Process for the hydrogenation of nitriles on Raney catalysts BASF AG (DE) 2005-01-26 EP claimed
EP-1209146-B1 Process for the hydrogenation of nitriles to primary amines using Raney-catalysts BASF AG (DE) 2004-06-30 EP claimed
US-6677486-B2 HYDROGENATING NITRITES TO PRIMARY AMINES OVER AN ACTIVATED, ALPHA-ALUMINUM OXIDE(AL2O3)-CONTAINING, MACROPOROUS RANEY CATALYST BASED ON AN ALLOY OF ALUMINUM AND AT LEAST ONE TRANSITION METAL BASF AKTIENGESELLSCHAFT (DE) 2004-01-13 US claimed
US-6469211-B2 CONTINUOUS HYDROGENATION OF NITRITES TO PRIMARY AMINES IN THE LIQUID PHASE OVER A SUSPENDED, ACTIVATED RANEY CATALYST BASED ON AN ALLOY OF ALUMINUM AND AT LEAST ONE TRANSITION METAL, IN ABSENCE OF AMMONIA BASF AKTIENGESELLSCHAFT (DE) 2002-10-22 US claimed
EP-1209146-A1 Process for the hydrogenation of nitriles to primary amines using Raney-catalysts BASF AKTIENGESELLSCHAFT (DE) 2002-05-29 EP claimed
EP-0382508-A2 The preparation of polyamines HAMPSHIRE CHEMICAL CORPORATION (US) 1990-08-16 EP claimed
EP-0367364-A1 Integrated process for the production of aminoacetonitriles HAMPSHIRE CHEMICAL CORPORATION (US) 1990-05-09 EP claimed
US-4721811-A Synthesis of aliphatic polyamines W. R. GRACE & CO. (US) 1988-01-26 US claimed
US-4704465-A Process for preparing ethylenediaminetetraacetonitrile MONSANTO COMPANY (US) 1987-11-03 US claimed
EP-0212986-A1 Synthesis of aliphatic polyamines W.R. Grace & Co.-Conn. (US) 1987-03-04 EP claimed
EP-0109406-A1 METHOD FOR THE PREPARATION OF AMINO-CETONITRILES CEMONA AG (CH) 1984-05-30 EP claimed
WO-1983004020-A1 METHOD FOR THE PREPARATION OF AMINO-CETONITRILES CEMONA AG (CH) 1983-11-24 WO claimed
US-4181672-A Process for preparing metal chelates W. R. GRACE & CO. (US) 1980-01-01 US claimed
US-3972876-A Process for the preparation of symmetrical and unsymmetrical azines and mixtures thereof PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-03 US claimed
US-3966803-A Process for the manufacture of alkali metal salts of amino polycarboxylic acids HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed