SCHEMBL7990318

SCHEMBL7990318

Nc1cc(Cl)c(Sc2ccc(C(=O)c3ccc(Cl)nc3)cc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.43
KCNQ3 O43525 4/20 0.39
KCNQ2 O43526 4/20 0.39
DGAT1 O75907 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDE7A Q13946 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8002338 0.83 MAPT (0.40) NAPRTKCNQ3KCNQ2MEN1CYP1A2
SCHEMBL8002841 0.76 NAPRT (0.43) NAPRTKCNQ3KCNQ2DGAT1MEN1
SCHEMBL7998973 0.75 GAA (0.39) KCNQ3KCNQ2MEN1CYP1A2CYP2D6
SCHEMBL8001920 0.75 KCNQ3 (0.34) NAPRTKCNQ3KCNQ2DGAT1MEN1
SCHEMBL7998975 0.75 GAA (0.39) KCNQ3KCNQ2MEN1CYP1A2CYP2D6
SCHEMBL7440808 0.74 NAPRT (0.72) NAPRTKCNQ3KCNQ2DGAT1MEN1
SCHEMBL8000142 0.72 RAB9A (0.39) NAPRTKCNQ3KCNQ2DGAT1MEN1
SCHEMBL2475597 0.71 NAPRT (0.62) NAPRTKCNQ3KCNQ2DGAT1KMT2A
SCHEMBL31473447 0.70 NAPRT (0.66) NAPRTKCNQ3KCNQ2DGAT1MEN1
SCHEMBL3383611 0.70 NAPRT (0.66) NAPRTKCNQ3KCNQ2DGAT1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159302-C Triazine derivatives, their preparation and use ��������-���Ͷ��ﱣ����ʽ���� 2004-07-28 CN disclosed
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
CN-1263526-A Triazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-16 CN disclosed
WO-1999011634-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-11 WO disclosed