SCHEMBL7989892

SCHEMBL7989892

CN1CC=NN(c2cc(Cl)c(Cc3ccc(C(=O)c4ccc(Cl)nc4)cc3)c(Cl)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
AR P10275 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
PARP1 P09874 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAPRT Q6XQN6 1/20 0.32

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
SCHEMBL7989657 0.89 MEN1 (0.36) RAB9AL3MBTL1MAPTMEN1KMT2A
SCHEMBL7990339 0.83 PARP1 (0.34) RAB9AL3MBTL1MAPTMEN1KMT2A
SCHEMBL8002248 0.79 TDP1 (0.34) RAB9AL3MBTL1MAPTMEN1KMT2A
SCHEMBL7999106 0.76 CCR9 (0.33) LMNAMEN1KMT2AARTDP1
SCHEMBL8002833 0.75 P2RX7 (0.39) RAB9AL3MBTL1MAPTKDM4ELMNA
SCHEMBL8002841 0.73 NAPRT (0.43) RAB9AL3MBTL1MAPTLMNAMEN1
SCHEMBL7999035 0.72 KMT2A (0.34) RAB9AL3MBTL1MAPTKDM4EMEN1
SCHEMBL8005711 0.72 PARP1 (0.32) PARP1
SCHEMBL7989856 0.72 THRB (0.46) MEN1KMT2A
SCHEMBL8002360 0.72 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