SCHEMBL8004871

SCHEMBL8004871

O=C1NCC=NN1c1cc(Cl)c(Cc2ccc(C(O)c3c[nH]c4ccccc34)cc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
GAA P10253 8/20 0.35
MGAM O43451 7/20 0.35
SI P14410 7/20 0.35
MGAM2 Q2M2H8 7/20 0.35
HTT P42858 3/20 0.34
KMT2A Q03164 4/20 0.34
MAPK1 P28482 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
NTSR1 P30989 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AHR P35869 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GUSB P08236 1/20 0.33
VDR P11473 1/20 0.31

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
SCHEMBL7990274 0.83 TP53 (0.41) MAPTHTTKMT2ASMN1; SMN2NPSR1
SCHEMBL7990341 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8005151 0.82
SCHEMBL8002032 0.82 LMNA (0.43) MAPTLMNA
SCHEMBL7990240 0.81
SCHEMBL7998698 0.80 CYP17A1 (0.35)
SCHEMBL8001913 0.80 TSHR (0.34)
SCHEMBL7998640 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7480508 0.79 TYMP (0.35) MAPTHTTKMT2ALMNANPSR1
SCHEMBL7989885 0.78 S1PR1 (0.33)

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 1 patent. 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