SCHEMBL6206535

SCHEMBL6206535

NC(=O)Nc1cccc(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HDAC3 O15379 8/20 0.48
HDAC1 Q13547 8/20 0.48
HDAC2 Q92769 8/20 0.48
MAPK1 P28482 1/20 0.48
NCOR2 Q9Y618 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL250263 0.85 HDAC3 (0.64) GAAKDM4EHDAC3HDAC1HDAC2
SCHEMBL29840068 0.82 GAA (0.67) GAAKDM4EHDAC3HDAC1HDAC2
SCHEMBL3928666 0.82 GAA (0.67) GAAKDM4EHDAC3HDAC1HDAC2
SCHEMBL5516360 0.82 ALDH1A1 (0.52) GAAKDM4EHDAC3HDAC1HDAC2
SCHEMBL9172706 0.79 NPC1 (0.57) GAAKDM4EHDAC3HDAC1HDAC2
SCHEMBL4075769 0.79 G6PD (0.53) GAAKDM4ENPC1RAB9ACASP3
SCHEMBL16096123 0.77 TGM2 (0.47) HDAC3HDAC1HDAC2MAPK1NCOR2
Benzylamine SCHEMBL7422652 0.76 HDAC1 (0.54) GAAKDM4EHDAC3HDAC1HDAC2
SCHEMBL11649214 0.76 GAA (0.61) GAAKDM4EMAPK1MAPTGFER
SCHEMBL7256165 0.76 GAA (0.61) GAAKDM4EMAPK1MAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102971288-B Novel process for producing bisaminophenylalkylurea NISSAN CHEMICAL IND LTD 2015-01-21 CN disclosed
CN-102971288-A Novel process for producing bisaminophenylalkylurea NISSAN CHEMICAL IND LTD 2013-03-13 CN disclosed
EP-1047672-B1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES CIBA SC HOLDING AG (CH) 2005-06-22 EP disclosed
CN-1146539-C Process for preparing sparingly soluble aromatic amines �������⻯ѧƷ�ع����޹�˾ 2004-04-21 CN disclosed
CN-1288461-A Process for preparing sparingly soluble aromatic amines CIBA SC HOLDING AG (CH) 2001-03-21 CN disclosed
EP-1047672-A1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES Ciba SC Holding AG (CH) 2000-11-02 EP disclosed
US-6087480-A Process for preparing sparingly soluble aromatic amines CIBA SPECIALTY CHEMCALS CORPORATION (US) 2000-07-11 US disclosed
WO-1999036402-A1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-07-22 WO disclosed
CN-1075717-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-09-01 CN disclosed
EP-0012983-B1 DIAMINOPHENYL UREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF AMINOBENZIMIDAZOLONES-(2) HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-31 EP disclosed
US-4246196-A CHEMICAL INTERMEDIATES IN THE PRODUCTION OF AMINOBENZIMIDAZOLONES HOECHST AG. (DE) 1981-01-20 US disclosed
EP-0012983-A1 Diaminophenyl ureas, process for their preparation and their use in the preparation of aminobenzimidazolones-(2) HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 EP disclosed