SCHEMBL29518358

SCHEMBL29518358

O=C(O)CCN1C(=O)SC(=Cc2cccs2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.67
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ MAPT P10636 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ KDR P35968 2/20 0.57
▸ PKM P14618 2/20 0.56
▸ HTT P42858 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ CISD1 Q9NZ45 2/20 0.53
▸ MAOA P21397 1/20 0.53

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
SCHEMBL29215003 0.90 FFAR1 (0.79) FFAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL29215005 0.90 FFAR1 (0.79) FFAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL12008950 0.87 FFAR1 (0.86) FFAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL20534434 0.86 KDR (0.66) FFAR1KMT2AMEN1MAPTKDR
SCHEMBL20534435 0.86 KDR (0.66) FFAR1KMT2AMEN1MAPTKDR
SCHEMBL12006896 0.80 FFAR1 (1.00) FFAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL29214969 0.80 HDAC1 (0.67) FFAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL29214971 0.80 HDAC1 (0.67) FFAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL19420154 0.78 FFAR1 (1.00) FFAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL10464668 0.76 FFAR1 (0.74) FFAR1KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO claimed
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO disclosed
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