SCHEMBL8002833

SCHEMBL8002833

Cn1c(=O)cnn(-c2cc(Cl)c(Cc3ccc(C(=O)c4ccc(Cl)nc4)cc3)c(Cl)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
AR P10275 4/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
NAPRT Q6XQN6 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NPBWR1 P48145 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
VNN1 O95497 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 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
SCHEMBL7484871 0.86 P2RX7 (0.42) P2RX7LMNAARMAPTTHRA
SCHEMBL7989856 0.83 THRB (0.46) P2RX7THRATHRBMEN1KMT2A
SCHEMBL7480013 0.80 P2RX7 (0.41) P2RX7ARL3MBTL1THRATHRB
SCHEMBL8005262 0.79 THRB (0.43) P2RX7THRATHRBMEN1KMT2A
SCHEMBL7480005 0.79 P2RX7 (0.39) P2RX7ARTHRATHRBNPBWR1
SCHEMBL7998709 0.77 THRB (0.43) P2RX7THRATHRBMEN1KMT2A
SCHEMBL7989892 0.75 RAB9A (0.35) LMNAKDM4EARRAB9AL3MBTL1
SCHEMBL8002841 0.75 NAPRT (0.43) LMNARAB9AL3MBTL1MAPTNAPRT
SCHEMBL7481801 0.74 KMT2A (0.38) P2RX7LMNAARMAPTTHRA
SCHEMBL7990339 0.72 PARP1 (0.34) RAB9AL3MBTL1MAPTNAPRTMEN1

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