SCHEMBL5717607

SCHEMBL5717607

O=C(O)Cc1csc(NC(=O)CSc2ccccn2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ PKM P14618 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ POLB P06746 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PDE5A O76074 1/20 0.54
▸ PDE1A P54750 1/20 0.54
▸ PDE1B Q01064 1/20 0.54
▸ PDE1C Q14123 1/20 0.54
▸ SLC12A5 Q9H2X9 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ GCK P35557 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL5717595 0.90 KMT2A (0.55) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL5717756 0.84 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2POLBPDE5A
SCHEMBL5867802 0.78 CDK2 (0.51) SMN1; SMN2POLBTDP1PDE5APDE1A
SCHEMBL13401399 0.77 KMT2A (0.56) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL1514790 0.77 KMT2A (0.64) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL5717639 0.75 ALDH1A1 (0.56) KMT2AMEN1SMN1; SMN2POLBPDE5A
SCHEMBL3431552 0.75 KMT2A (0.91) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL8351289 0.72 THRB (0.63) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL27599948 0.72 KDM4E (0.78) SMN1; SMN2PDE5APDE1APDE1BPDE1C
SCHEMBL8350301 0.72 ALDH1A1 (0.54) KMT2AMEN1POLBPDE5APDE1A

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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
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