SCHEMBL8001920

SCHEMBL8001920

O=C(c1ccc(Sc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1ccc(Cl)nc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
NAPRT Q6XQN6 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
DGAT1 O75907 1/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
RAB9A P51151 2/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL7990084 0.83
SCHEMBL7990339 0.82 PARP1 (0.34) KCNQ3KCNQ2NAPRTMEN1KMT2A
SCHEMBL7917515 0.81 GAA (0.39) MEN1CYP2C9CYP2C19KMT2AMAPT
SCHEMBL8002248 0.79 TDP1 (0.34) KCNQ3KCNQ2MEN1KMT2AMAPT
SCHEMBL7990318 0.75 NAPRT (0.43) KCNQ3KCNQ2NAPRTMEN1CYP1A2
SCHEMBL7999106 0.73 CCR9 (0.33) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL7999035 0.72 KMT2A (0.34) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL8005711 0.72 PARP1 (0.32) KCNQ3KCNQ2
SCHEMBL8002338 0.71 MAPT (0.40) KCNQ3KCNQ2NAPRTMEN1CYP1A2
SCHEMBL8002360 0.71 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