SCHEMBL8002248

SCHEMBL8002248

Cc1cc(N2N=CCNC2=O)cc(Cl)c1Cc1ccc(C(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
PARP1 P09874 2/20 0.34
RAB9A P51151 3/20 0.33
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
AR P10275 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 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
SCHEMBL7990339 0.94 PARP1 (0.34) PARP1RAB9AKCNQ3KCNQ2MEN1
SCHEMBL7999106 0.88 CCR9 (0.33) TDP1MEN1KMT2AAR
SCHEMBL7999021 0.85
SCHEMBL8001979 0.85 SRD5A2 (0.40) TDP1PARP1MEN1KMT2AMAPT
SCHEMBL8005711 0.83 PARP1 (0.32) PARP1KCNQ3KCNQ2
SCHEMBL7999035 0.83 KMT2A (0.34) TDP1RAB9AMEN1KMT2AMAPT
SCHEMBL7470125 0.83 VNN1 (0.34) AR
SCHEMBL7917032 0.83 ENPP2 (0.34) TDP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8000233 0.82 KDM4A (0.32)
SCHEMBL8002360 0.82 DAO (0.32)

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