SCHEMBL11019452

SCHEMBL11019452

COC(=O)Cc1csc(NC(=O)CCCCCn2ccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PDE5A O76074 2/20 0.51
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45
▸ PDE1C Q14123 1/20 0.45
▸ TBXAS1 P24557 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.44

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
SCHEMBL11221333 0.75 TBXAS1 (0.67) TBXAS1
SCHEMBL11223282 0.75 TBXAS1 (0.67) TBXAS1
SCHEMBL7444582 0.75 TBXAS1 (0.67) TBXAS1
SCHEMBL15883192 0.74 TBXAS1 (0.64) TBXAS1
SCHEMBL1000759 0.72 GAA (0.82) POLBMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6877987 0.72 GAA (0.59) POLBMEN1KMT2AGAALMNA
SCHEMBL10113608 0.71 POLB (0.53) POLBMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10113884 0.71 POLB (0.53) POLBMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL28803096 0.71 ALDH1A1 (0.56) POLBMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4968797 0.70 SMN1; SMN2 (0.65) POLBMEN1KMT2AGAAMAPT

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
JP-60013773-A — — None — — JP disclosed
JP-S6013773-A 2-SUBSTITUTED-AMINO-4-THIAZOLYLACETIC ACID AND ITS LOWER ALKYL ESTER YAMANOUCHI PHARMACEUT CO LTD 1985-01-24 — — JP disclosed
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