SCHEMBL3421583

SCHEMBL3421583

O=C(COc1ccccc1)Nc1cc[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.60
▸ RAB9A P51151 6/20 0.59
▸ LMNA P02545 1/20 0.57
▸ ALPL P05186 2/20 0.57
▸ NPC1 O15118 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ TP53 P04637 3/20 0.54
▸ NOTUM Q6P988 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ ADORA2A P29274 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ ALPI P09923 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL3225223 0.82 GAA (0.55) GAARAB9ALMNAALPLNPC1
SCHEMBL822367 0.81 NPC1 (0.75) GAARAB9ALMNAALPLNPC1
SCHEMBL3418702 0.79 CDK2 (0.57) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
Hydrochloric Acid SCHEMBL7014888 0.78 GAA (0.69) GAARAB9ALMNANPC1SMN1; SMN2
SCHEMBL897128 0.78 ALDH1A1 (0.49) GAARAB9ALMNASMN1; SMN2TP53
SCHEMBL3498895 0.76 LMNA (0.78) GAARAB9ALMNANPC1SMN1; SMN2
SCHEMBL31503975 0.76 LMNA (0.78) GAARAB9ALMNANPC1NOTUM
SCHEMBL20503498 0.76 JAK2 (0.35) GAARAB9ANPC1TP53
SCHEMBL640542 0.76 ALPL (0.62) GAARAB9ALMNAALPLNPC1
SCHEMBL31503992 0.76 RAB9A (0.72) GAARAB9ALMNANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 — — 2010-10-06 — — JP claimed
JP-2004505977-A — — 2004-02-26 — — JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 — — EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 — — WO claimed
CN-118697922-A Perfume dispersing device 弗门尼舍有限公司 2024-09-27 — — CN disclosed
CN-109414048-B Coated yeast formulation 弗门尼舍有限公司 2023-09-01 — — CN disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 — — EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 — — WO disclosed
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