SCHEMBL7989865

SCHEMBL7989865

O=C(c1ccc(Cc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
VNN1 O95497 2/20 0.39
VCAM1 P19320 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SRD5A2 P31213 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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 0.87 MAPT (0.44) MAPTTDP1MAPK1POLBNPSR1
SCHEMBL7483341 0.86 MAPT (0.46) MAPTTDP1MAPK1POLBNPSR1
SCHEMBL8000281 0.85 MEN1 (0.46) MAPTTDP1MAPK1POLBNPSR1
SCHEMBL7998751 0.83 VNN1 (0.42) MAPTTDP1MAPK1POLBKDM4E
SCHEMBL8005176 0.82 TDP1 (0.43) MAPTTDP1MAPK1POLBNPSR1
SCHEMBL8002481 0.82 SRD5A2 (0.49) MAPTTDP1MAPK1POLBNPSR1
SCHEMBL8001948 0.81 L3MBTL1 (0.44) MAPTTDP1MAPK1POLBNPSR1
SCHEMBL8002367 0.80 MAPT (0.40) MAPTTDP1MAPK1POLBNPSR1
SCHEMBL8002136 0.80 MAPT (0.43) MAPTTDP1MAPK1POLBNPSR1
SCHEMBL7841868 0.77 MAPK1 (0.54) MAPTTDP1MAPK1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1999011634-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-11 WO disclosed