SCHEMBL21077220

SCHEMBL21077220

COc1cncc(-c2ccc(NC(=O)Cc3csc(NSC4CCC4)n3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 9/20 0.46
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALOX12 P18054 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 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
SCHEMBL21044543 0.84 CTPS1 (0.65) CTPS1
SCHEMBL21044322 0.82 CTPS1 (0.70) CTPS1
SCHEMBL21077154 0.82 CTPS1 (0.46) CTPS1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL21076894 0.81 CTPS1 (0.52) CTPS1MEN1KMT2AGAAMAPT
SCHEMBL21387603 0.80 CTPS1 (0.49) CTPS1
SCHEMBL21077016 0.78 CTPS1 (0.58) CTPS1
SCHEMBL21077098 0.76 CTPS1 (0.53) CTPS1MEN1KMT2AGAAMAPT
SCHEMBL22491706 0.74 CTPS1 (0.68) CTPS1
SCHEMBL22762580 0.74 CTPS1 (0.49) CTPS1
SCHEMBL21387638 0.73 CTPS1 (0.51) CTPS1

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-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
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