SCHEMBL7269768

SCHEMBL7269768

N#Cc1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.55
▸ MAOB P27338 5/20 0.55
▸ HTT P42858 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ HPGD P15428 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3012370 0.89 MAOB (0.64) MAOAMAOBHTTEPHX2CYP11B1
SCHEMBL31374905 0.84 HDAC1 (0.53) MAOAMAOBHTTLMNAKMT2A
SCHEMBL14565028 0.76 MAOB (0.57) MAOAMAOBHTTALDH1A1LMNA
SCHEMBL14565123 0.75 MAOB (0.56) MAOAMAOBHTTALDH1A1LMNA
SCHEMBL10509516 0.75 HTT (0.59) MAOAMAOBHTTALDH1A1LMNA
SCHEMBL30199790 0.75 HTT (0.59) MAOAMAOBHTTALDH1A1LMNA
SCHEMBL3601956 0.75 HTT (0.59) MAOAMAOBHTTALDH1A1LMNA
SCHEMBL15875502 0.75 HTT (0.59) MAOAMAOBHTTALDH1A1LMNA
SCHEMBL1332876 0.75 HTT (0.59) MAOAMAOBHTTALDH1A1LMNA
SCHEMBL7454625 0.75 HTT (0.59) MAOAMAOBHTTALDH1A1LMNA

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-0411751-A1 Renin inhibitory peptides Beecham Group p.l.c. (GB) 1991-02-06 — — EP disclosed
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