SCHEMBL7989657

SCHEMBL7989657

CC(=O)N1CC=NN(c2cc(Cl)c(Cc3ccc(C(=O)c4ccc(Cl)nc4)cc3)c(Cl)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AR P10275 3/20 0.31
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NAPRT Q6XQN6 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL7989892 0.89 RAB9A (0.35) MEN1KMT2AATMRAB9AMAPT
SCHEMBL7990339 0.81 PARP1 (0.34) MEN1KMT2AATMRAB9AMAPT
SCHEMBL8002248 0.78 TDP1 (0.34) MEN1KMT2AATMRAB9AMAPT
SCHEMBL7999106 0.74 CCR9 (0.33) MEN1KMT2AARALDH1A1TDP1
SCHEMBL8002841 0.72 NAPRT (0.43) MEN1KMT2ARAB9AMAPTL3MBTL1
SCHEMBL8002833 0.72 P2RX7 (0.39) MEN1KMT2ARAB9AMAPTL3MBTL1
SCHEMBL8005711 0.71 PARP1 (0.32) PARP1KCNQ3KCNQ2
SCHEMBL7999035 0.71 KMT2A (0.34) MEN1KMT2ARAB9AMAPTL3MBTL1
SCHEMBL7989856 0.71 THRB (0.46) MEN1KMT2A
SCHEMBL8002360 0.70 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