SCHEMBL4059614

SCHEMBL4059614

Cc1cc(C)c(-c2nc(C)c(C)s2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
AOC3 Q16853 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
NUDT1 P36639 1/20 0.32
LCK P06239 2/20 0.32
PTGER3 P43115 1/20 0.31

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
SCHEMBL10022977 0.74 NOS1 (0.52) NOS1SMN1; SMN2ALDH1A1POLBADORA2A
SCHEMBL4138997 0.72 KDM4E (0.58) SMN1; SMN2KDM4EALDH1A1AOC3GAA
SCHEMBL4153015 0.71 KMT2A (0.53) SMN1; SMN2ALDH1A1POLBKMT2AGAA
SCHEMBL12777780 0.69 DCK (0.49) NOS1KDM4EADORA2AADORA1AOC3
SCHEMBL23176648 0.68 MAPT (0.62) SMN1; SMN2KDM4EALDH1A1POLBKMT2A
SCHEMBL14451013 0.68 KDM4E (0.54) SMN1; SMN2HSD17B10KDM4EALDH1A1POLB
SCHEMBL427731 0.68 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL28463715 0.67 KDM4E (0.53) SMN1; SMN2HSD17B10KDM4EALDH1A1POLB
SCHEMBL3894243 0.67 ADORA2A (0.37) NOS1KDM4EKMT2AADORA2AADORA1
Hydrochloric Acid SCHEMBL3265116 0.67 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1KMT2AGAA

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
EP-2104566-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-30 EP disclosed
WO-2008064223-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 WO disclosed