SCHEMBL21077199

SCHEMBL21077199

CCC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 14/20 0.53
▸ CTPS2 Q9NRF8 1/20 0.43
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL21077015 0.90 CTPS1 (0.41) CTPS1ADRB3PSEN1PSEN2APH1B
SCHEMBL21077047 0.90 CTPS1 (0.52) CTPS1CTPS2RAB9AMEN1KMT2A
SCHEMBL21077175 0.87 CTPS1 (0.44) CTPS1CTPS2RAB9AMEN1KMT2A
SCHEMBL21077107 0.87 CTPS1 (0.54) CTPS1ADRB3
SCHEMBL21077048 0.87 CTPS1 (0.43) CTPS1ADRB3
SCHEMBL21077144 0.85 CTPS1 (0.55) CTPS1ADRB3
SCHEMBL21076942 0.85 CTPS1 (0.48) CTPS1
SCHEMBL22762461 0.84 CTPS1 (0.55) CTPS1CTPS2RAB9AMEN1KMT2A
SCHEMBL21077147 0.84 CTPS1 (0.54) CTPS1RAB9AMEN1KMT2AKDM4E
SCHEMBL22491694 0.82 CTPS1 (0.72) CTPS1CTPS2

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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