SCHEMBL14280235

SCHEMBL14280235

Cc1ccc(-c2cccc3ncoc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 1/20 0.40
KCNA3 P22001 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
KLKB1 P03952 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
ADORA3 P0DMS8 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SYK P43405 1/20 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
SCHEMBL6500200 0.81 ELANE (0.41) TDP1ELANEKCNA3RAB9ANPC1
SCHEMBL17691839 0.77 ERN1 (0.40) ELANEKCNA3KLKB1MTNR1AMTNR1B
SCHEMBL17231503 0.76 ACLY (0.40) KCNA3LMNAKLKB1MTNR1AMTNR1B
SCHEMBL17231479 0.76 ACLY (0.40) KCNA3LMNAKLKB1MTNR1AMTNR1B
SCHEMBL289180 0.74 ELANE (0.56) TDP1ELANEKCNA3RAB9ANPC1
SCHEMBL24155551 0.73 NOTUM (0.45) RAB9ANPC1NOTUMKDM4EALDH1A1
SCHEMBL1881874 0.72 COMT (0.40) TDP1RAB9ANPC1KMT2ANOTUM
SCHEMBL17691865 0.72 ERN1 (0.40) RAB9ANPC1L3MBTL1LMNAKLKB1
SCHEMBL17691816 0.71 ACLY (0.45) KCNA3KLKB1ACLY
SCHEMBL17231484 0.71 ACLY (0.47) KCNA3KLKB1ACLY

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-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed