SCHEMBL7989856

SCHEMBL7989856

O=C(c1ccc(Cc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)cc1)c1ccc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.46
THRA P10827 4/20 0.46
P2RX7 Q99572 10/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB11 O95342 1/20 0.38

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
SCHEMBL8005262 0.93 THRB (0.43) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7998709 0.93 THRB (0.43) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7472949 0.90 MEN1 (0.51) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL8002833 0.83 P2RX7 (0.39) THRBTHRAP2RX7MEN1KMT2A
SCHEMBL7989781 0.83 THRB (0.48) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7829095 0.81 MEN1 (0.58) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL8347711 0.81 THRB (0.52) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7999085 0.81 THRB (0.53) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7477395 0.80 THRB (0.53) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL24781304 0.79 THRB (0.55) THRBTHRAP2RX7MEN1NR1I2

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 claimed
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