SCHEMBL2437116

SCHEMBL2437116

N#Cc1c(O)nsc1Nc1ccc(Cl)c(C(Cl)(Cl)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.46
HTT P42858 3/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
NPY1R P25929 1/20 0.32
MAPK1 P28482 1/20 0.32
NPY2R P49146 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DHODH Q02127 1/20 0.31
IDO1 P14902 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL21917354 0.86 HTT (0.43) MAP2K1HTTRECQLALDH1A1LMNA
SCHEMBL1228956 0.79 MAPT (0.50) MAP2K1HTTRECQLALDH1A1LMNA
SCHEMBL2436615 0.77 MAP2K1 (0.51) MAP2K1HTTRECQLALDH1A1LMNA
SCHEMBL2434751 0.77 HTT (0.48) MAP2K1HTTRECQLALDH1A1LMNA
SCHEMBL2441575 0.76 HTT (0.41) HTTRECQLALDH1A1LMNAPOLB
SCHEMBL21917259 0.75 HTT (0.41) HTTRECQLALDH1A1LMNAPOLB
SCHEMBL21917263 0.74 MAP2K1 (0.54) MAP2K1HTTRECQLALDH1A1POLB
SCHEMBL21917165 0.74 HTT (0.48) HTTRECQLALDH1A1LMNAPOLB
SCHEMBL1230231 0.74 KDM4E (0.52) MAP2K1HTTRECQLALDH1A1RAB9A
SCHEMBL2436480 0.73 MAPT (0.45) MAP2K1HTTRECQLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989451-B2 Substituted isothiazole compounds are useful for treating the diseases associated with abnormality in protein kinases(especially MAP kinases) VALEANT RESEARCH & DEVELOPMENT (US) 2006-01-24 US claimed
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed