SCHEMBL29573973

SCHEMBL29573973

Cc1cc(COc2ccc(Cl)cc2CN)on1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ CCR5 P51681 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ NOS1 P29475 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38

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
SCHEMBL3884854 1.00 KMT2A (0.57) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL13620914 0.88 KMT2A (0.58) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL29034428 0.79 KMT2A (0.57) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL6212079 0.77 MEN1 (0.52) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL14008076 0.77 PTGER1 (0.58) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL4923103 0.76 PTGER1 (0.68) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL4029373 0.76 MEN1 (0.60) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL6213049 0.75 CCR5 (0.48) KMT2AMRGPRX4RAB9ANPC1CCR5
SCHEMBL4919353 0.74 PTGER1 (0.52) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
Hydrochloric Acid SCHEMBL6213801 0.74 MEN1 (0.50) KMT2AMEN1MRGPRX4RAB9ANPC1

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
CN-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 — — CN disclosed
EP-4196219-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE Biointervene, Inc. (US) 2023-06-21 — — EP disclosed
WO-2022040241-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE BIOINTERVENE, INC. (US) 2022-02-24 — — WO disclosed
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