SCHEMBL8005262

SCHEMBL8005262

Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Cc1ccc(C(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.43
THRA P10827 3/20 0.43
P2RX7 Q99572 8/20 0.41
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB11 O95342 1/20 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
SCHEMBL7989856 0.93 THRB (0.46) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7998709 0.89 THRB (0.43) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7477804 0.87 THRB (0.47) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL8006662 0.85 THRB (0.44) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7472949 0.83 MEN1 (0.51) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL7474453 0.80 THRB (0.46) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL8002833 0.79 P2RX7 (0.39) THRBTHRAP2RX7MEN1KMT2A
SCHEMBL8347711 0.78 THRB (0.52) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL8002248 0.78 TDP1 (0.34) MEN1KMT2A
SCHEMBL7989781 0.77 THRB (0.48) 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 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