SCHEMBL7998751

SCHEMBL7998751

Nc1cc(Cl)c(Cc2ccc(C(=O)c3cnc(Cl)c(Cl)c3)cc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 7/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
APEX1 P27695 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRNA7 P36544 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
SCHEMBL8002841 0.86 NAPRT (0.43) VNN1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7484185 0.85 SRD5A2 (0.44) VNN1TDP1ALDH1A1MAPK1KMT2A
SCHEMBL8000191 0.84 CCR9 (0.39) VNN1KMT2AKDM4E
SCHEMBL7989865 0.83 MAPT (0.43) VNN1TDP1ALDH1A1MAPK1KMT2A
SCHEMBL8002494 0.81 VNN1 (0.36) VNN1SMN1; SMN2MAPTHTTCHRNA7
SCHEMBL8001938 0.80 SRD5A2 (0.54) ALDH1A1MAPK1L3MBTL1GAASMN1; SMN2
SCHEMBL7998602 0.80 RECQL (0.36) VNN1ALDH1A1POLBSMN1; SMN2
SCHEMBL8000142 0.78 RAB9A (0.39) VNN1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7999035 0.76 KMT2A (0.34) VNN1TDP1ALDH1A1KMT2AMEN1
SCHEMBL8005183 0.76 KMT2A (0.39) TDP1MAPK1KMT2AMEN1L3MBTL1

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