SCHEMBL21077018

SCHEMBL21077018

O=C(Cc1csc(N[S+]([O-])C2CC2)n1)Nc1ccc(-c2cnccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 12/20 0.53
▸ WNT3A P56704 3/20 0.44
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 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
SCHEMBL21077075 0.88 CTPS1 (0.64) CTPS1WNT3AMEN1KMT2ACYP1A2
SCHEMBL21076999 0.86 CTPS1 (0.68) CTPS1WNT3AADRB2ADRB1ADRB3
SCHEMBL21077246 0.85 CTPS1 (0.54) CTPS1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21077154 0.84 CTPS1 (0.46) CTPS1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21077101 0.83 CTPS1 (0.53) CTPS1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21076939 0.83 CTPS1 (0.51) CTPS1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21077035 0.81 CTPS1 (0.52) CTPS1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21044392 0.81 CTPS1 (0.79) CTPS1
SCHEMBL21076877 0.80 CTPS1 (0.57) CTPS1WNT3A
SCHEMBL21077014 0.79 CTPS1 (0.42) CTPS1WNT3AMEN1KMT2AADRB3

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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