SCHEMBL8002841

SCHEMBL8002841

Nc1cc(Cl)c(Cc2ccc(C(=O)c3ccc(Cl)nc3)cc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.43
VNN1 O95497 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
GRM4 Q14833 1/20 0.36
POLB P06746 1/20 0.36
DGAT1 O75907 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL8000142 0.92 RAB9A (0.39) NAPRTVNN1L3MBTL1RAB9AMAPT
SCHEMBL8000191 0.87 CCR9 (0.39) VNN1KMT2A
SCHEMBL7998751 0.86 VNN1 (0.42) VNN1L3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL8002494 0.84 VNN1 (0.36) VNN1MAPTSMN1; SMN2
SCHEMBL7484185 0.83 SRD5A2 (0.44) VNN1L3MBTL1RAB9AMAPTALDH1A1
SCHEMBL7998602 0.83 RECQL (0.36) VNN1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8005114 0.83 MAPT (0.44) NAPRTVNN1L3MBTL1RAB9AMAPT
SCHEMBL7999086 0.82 RAB9A (0.37) NAPRTVNN1L3MBTL1RAB9AMAPT
SCHEMBL8001938 0.81 SRD5A2 (0.54) L3MBTL1RAB9AMAPTALDH1A1NPC1
SCHEMBL7990318 0.76 NAPRT (0.43) NAPRTL3MBTL1RAB9AMAPTNPC1

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 2 patents. 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
WO-1999011634-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-11 WO disclosed