SCHEMBL21077176

SCHEMBL21077176

CC(C)C[S+]([O-])Nc1nc(C(C)(C)C(=O)Nc2ccc(-c3cccnc3)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 8/20 0.61
CTPS2 Q9NRF8 2/20 0.61
WNT3A P56704 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PORCN Q9H237 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAP4K4 O95819 1/20 0.37

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
SCHEMBL21077076 0.87 CTPS1 (0.65) CTPS1CTPS2WNT3AKDM4EALDH1A1
SCHEMBL21077207 0.84 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21076965 0.83 CTPS1 (0.63) CTPS1CTPS2WNT3AKDM4EALDH1A1
SCHEMBL21077152 0.82 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21044436 0.82 CTPS1 (0.71) CTPS1CTPS2WNT3AKDM4EALDH1A1
SCHEMBL21044510 0.80 CTPS1 (0.75) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL22491738 0.79 CTPS1 (0.76) CTPS1CTPS2WNT3ARAB9AMEN1
SCHEMBL21044010 0.79 CTPS1 (0.78) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21044545 0.78 CTPS1 (0.77) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21044469 0.76 CTPS1 (0.93) 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