SCHEMBL2929950

SCHEMBL2929950

CC(=O)c1c(N)ccc(-c2ccc(N)cc2)c1C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PRKCZ Q05513 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 3/20 0.36
THRB P10828 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B1 P14061 1/20 0.34
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 2/20 0.33
DHFR P00374 1/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL3789904 0.84 THRB (0.39) MAPTNPC1RAB9APRKCZTDP1
SCHEMBL27842733 0.79 THRB (0.47) MAPTNPC1RAB9ATDP1ALDH1A1
SCHEMBL9001554 0.79 KDM4E (0.42) MAPTNPC1RAB9APRKCZTDP1
Methane SCHEMBL29028809 0.78 KDM4E (0.41) MAPTNPC1RAB9APRKCZTDP1
SCHEMBL9705201 0.77 ALDH1A1 (0.47) MAPTRAB9APRKCZALDH1A1TP53
SCHEMBL5060828 0.74 MAPT (0.44) MAPTRAB9ATDP1ALDH1A1CYP3A4
SCHEMBL29229205 0.74 PRKCZ (0.62) MAPTNPC1RAB9APRKCZALDH1A1
SCHEMBL3790376 0.73 PRKCI (0.50) MAPTNPC1RAB9ATDP1CYP3A4
SCHEMBL3787112 0.73 MAPT (0.49) MAPTNPC1RAB9AHSD17B1SMN1; SMN2
SCHEMBL3785357 0.72 MAPT (0.41) MAPTNPC1RAB9ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106631866-A Synthesis process of medical and chemical intermediate 3,3'-dinitro-4,4'-diacetylbiphenyldiamine 徐州诺克非医药科技有限公司 2017-05-10 CN claimed
CN-106631866-B A kind of synthesis technology of pharmaceutical-chemical intermediate 3,3 '-dinitro -4,4 '-diacetyl benzidine 湖南奥朗特医疗器械有限公司 2018-06-19 CN disclosed
CN-106631866-B A kind of synthesis technology of pharmaceutical-chemical intermediate 3,3 '-dinitro -4,4 '-diacetyl benzidine 湖南奥朗特医疗器械有限公司 2018-06-19 CN disclosed
CN-106631866-A Synthesis process of medical and chemical intermediate 3,3'-dinitro-4,4'-diacetylbiphenyldiamine 徐州诺克非医药科技有限公司 2017-05-10 CN disclosed
EP-1730102-B1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2010-09-22 EP disclosed
EP-1727781-B1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2009-05-06 EP disclosed
EP-1730102-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL Council of Scientific and Industrial Research (IN) 2006-12-13 EP disclosed
EP-1727781-A1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL Council of Scientific and Industrial Research (IN) 2006-12-06 EP disclosed
WO-2005092839-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-10-06 WO disclosed
WO-2005063679-A1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-14 WO disclosed
US-6835854-B1 Oxidation of 3,3'-dichloro 4,4'-diaminobiphenyl (DCB), ammonolysis of the resulting 3,3'-dichloro-4,4'-dinitrobiphenyl (DCDNB) and reduction of 3,3'-diamino-4,4'-dinitrobiphenyl and treating with an alkali COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-12-28 US disclosed