SCHEMBL21077178

SCHEMBL21077178

CC(C)(C(=O)Nc1ccc(-c2cccc(N3CCOCC3)c2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 7/20 0.44
▸ CTPS2 Q9NRF8 2/20 0.44
▸ F10 P00742 4/20 0.42
▸ PHGDH O43175 1/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ POLQ O75417 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35

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
SCHEMBL21044407 0.85 CTPS1 (0.61) CTPS1CTPS2F10AKT1PIK3CA
SCHEMBL30528879 0.85 CTPS1 (0.61) CTPS1CTPS2F10AKT1PIK3CA
SCHEMBL21077153 0.84 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21076934 0.84 CTPS1 (0.45) CTPS1CTPS2
SCHEMBL21077188 0.84 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077093 0.82 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077203 0.81 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077165 0.80 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21076941 0.79 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21076932 0.79 CTPS1 (0.52) 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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