SCHEMBL3261601

SCHEMBL3261601

COc1cccc(CNC(=O)c2nc3ccccc3s2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.78
ROCK2 O75116 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.70
ROCK1 Q13464 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.66
RAB9A P51151 2/20 0.66
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58

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
SCHEMBL13457535 0.84 ROCK2 (1.00) MAOBROCK2ROCK1
SCHEMBL5330099 0.83 L3MBTL1 (1.00) MAOBROCK2L3MBTL1SMN1; SMN2RAB9A
SCHEMBL5328632 0.82 MAOB (0.79) MAOBL3MBTL1SMN1; SMN2RAB9AKMT2A
SCHEMBL18763169 0.79 RAB9A (0.60) MAOBROCK2ROCK1SMN1; SMN2RAB9A
SCHEMBL28147012 0.77 RAB9A (0.71) SMN1; SMN2RAB9AKMT2AMEN1CYP1A2
SCHEMBL13457054 0.77 ROCK2 (0.64) MAOBROCK2ROCK1MMP13
SCHEMBL3264656 0.77 ROCK2 (0.68) MAOBROCK2ROCK1
SCHEMBL14346517 0.76 MAOB (0.72) MAOBROCK2RAB9AKMT2AMEN1
SCHEMBL19828200 0.76 SENP1 (0.61) SMN1; SMN2RAB9AGAAMAPTNPC1
SCHEMBL14345990 0.76 L3MBTL1 (0.80) MAOBROCK2L3MBTL1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 WO disclosed