SCHEMBL11582997

SCHEMBL11582997

Nc1ccc(Sc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.54
▸ CSNK1A1 P48729 2/20 0.54
▸ CSNK1D P48730 2/20 0.54
▸ CSNK1G1 Q9HCP0 2/20 0.54
▸ MAOA P21397 2/20 0.54
▸ FGR P09769 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ HIPK2 Q9H2X6 1/20 0.54
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PLEC Q15149 1/20 0.46

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
SCHEMBL11580527 0.87 ADORA2A (0.56) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL9846550 0.77 ADORA2A (0.65) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL525762 0.74 ADORA2A (1.00) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL29361319 0.74 ADORA2A (1.00) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL1683323 0.72 ADORA2A (0.65) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
Hydrochloric Acid SCHEMBL8643536 0.72 ADORA2A (0.95) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL10904540 0.72 ADORA2A (0.95) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL577858 0.72 IFNAR1 (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL31167972 0.72 IFNAR1 (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6366580 0.72 ADORA2A (0.58) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA

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
US-4126626-A DYES, POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-11-21 — — US disclosed
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