SCHEMBL2437350

SCHEMBL2437350

COc1cccc(Nc2snc(O)c2C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HTT P42858 2/20 0.48
RECQL P46063 1/20 0.48
EPAS1 Q99814 1/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 3/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
CDK1 P06493 1/20 0.42
KDR P35968 1/20 0.42
PKM P14618 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL3533411 0.86 HTT (0.50) KDM4EHTTRECQLMAPTMEN1
SCHEMBL2436285 0.84 HTT (0.49) KDM4EHTTRECQLEPAS1MAPT
SCHEMBL2437731 0.83 HTT (0.55) KDM4EHTTRECQLMAPTMEN1
SCHEMBL5941057 0.82 HTT (0.49) HTTRECQLMAPTMEN1KMT2A
SCHEMBL5940997 0.81 HTT (0.46) KDM4EHTTRECQLEPAS1MAPT
SCHEMBL2434751 0.81 HTT (0.48) KDM4EHTTRECQLMAPTMEN1
SCHEMBL5941015 0.81 MAP2K1 (0.54) HTTRECQLEPAS1MAPTMEN1
SCHEMBL5941107 0.81 LMNA (0.51) KDM4EHTTRECQLMAPTMEN1
SCHEMBL3527060 0.80 HTT (0.68) HTTRECQLMAPTMEN1KMT2A
SCHEMBL21917165 0.78 HTT (0.48) HTTRECQLMAPTMEN1KMT2A

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