SCHEMBL8002136

SCHEMBL8002136

Cc1cc([N+](=O)[O-])cc(Cl)c1Cc1ccc(C(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
DCTPP1 Q9H773 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
NAPRT Q6XQN6 1/20 0.35
VCAM1 P19320 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
RAF1 P04049 1/20 0.34

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
SCHEMBL8005114 0.92 MAPT (0.44) MAPTMAPK1TDP1POLBALDH1A1
SCHEMBL8002367 0.87 MAPT (0.40) MAPTMAPK1TDP1POLBALDH1A1
SCHEMBL8000281 0.86 MEN1 (0.46) MAPTMAPK1TDP1POLBALDH1A1
SCHEMBL8000142 0.82 RAB9A (0.39) MAPTALDH1A1NPSR1L3MBTL1RAB9A
SCHEMBL8005176 0.81 TDP1 (0.43) MAPTMAPK1TDP1POLBALDH1A1
SCHEMBL8002481 0.81 SRD5A2 (0.49) MAPTMAPK1TDP1POLBALDH1A1
SCHEMBL7989865 0.80 MAPT (0.43) MAPTMAPK1TDP1POLBALDH1A1
SCHEMBL8001948 0.78 L3MBTL1 (0.44) MAPTMAPK1TDP1POLBALDH1A1
SCHEMBL7483341 0.78 MAPT (0.46) MAPTMAPK1TDP1POLBALDH1A1
SCHEMBL8002841 0.76 NAPRT (0.43) MAPTPOLBALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159302-C Triazine derivatives, their preparation and use ��������-���Ͷ��ﱣ����ʽ���� 2004-07-28 CN disclosed
US-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US disclosed
CN-1263526-A Triazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-16 CN disclosed
WO-1999011634-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-11 WO disclosed