SCHEMBL21077014

SCHEMBL21077014

CC(C)C(C(=O)Nc1ccc(-c2cnccn2)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 7/20 0.42
▸ ADRB3 P13945 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CDC25A P30304 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CDC25C P30307 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ WNT3A P56704 2/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MLLT1 Q03111 1/20 0.33

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
SCHEMBL21076863 0.86 ADRB3 (0.39) CTPS1ADRB3MEN1KMT2ANPC1
SCHEMBL21044160 0.82 CTPS1 (0.58) CTPS1
SCHEMBL21077018 0.79 CTPS1 (0.53) CTPS1ADRB3MEN1KMT2AWNT3A
SCHEMBL21077047 0.79 CTPS1 (0.52) CTPS1ADRB3MEN1KMT2AWNT3A
SCHEMBL21077234 0.76 CTPS1 (0.40) CTPS1MEN1KMT2ALMNANPC1
SCHEMBL21077175 0.76 CTPS1 (0.44) CTPS1MEN1KMT2AWNT3ANPC1
SCHEMBL21077147 0.75 CTPS1 (0.54) CTPS1ADRB3MEN1KMT2ANPC1
SCHEMBL21077060 0.75 CTPS1 (0.56) CTPS1
SCHEMBL21077117 0.75 CTPS1 (0.55) CTPS1ADRB3
SCHEMBL21077199 0.75 CTPS1 (0.53) CTPS1ADRB3MEN1KMT2ANPC1

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
Send feedback