SCHEMBL29489035

SCHEMBL29489035

NCc1cc(NS(=O)(=O)C(F)(F)F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.48
▸ CA1 P00915 5/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ HSPD1 P10809 1/20 0.40
▸ HSPE1 P61604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 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
SCHEMBL24369575 1.00 CA2 (0.48) CA2CA1CYSLTR2CYSLTR1PTPN1
SCHEMBL25099306 0.81 HASPIN (0.43) CA2CA1MAPK1SMN1; SMN2
SCHEMBL24369658 0.80 PRKCI (0.32) —
SCHEMBL29488816 0.80 PRKCI (0.32) —
SCHEMBL24369142 0.76 PRMT6 (0.46) PTGS1PTGS2
SCHEMBL29489092 0.74 PTPN1 (0.45) CA2CA1PTPN1SLC22A12PTPN11
SCHEMBL24369576 0.74 PTPN1 (0.45) CA2CA1PTPN1SLC22A12PTPN11
SCHEMBL5467486 0.72 PTPN1 (0.58) CA2CA1PTPN1PTPN11MAPK1
SCHEMBL11615543 0.71 PRKCI (0.38) —
SCHEMBL3788262 0.69 CA2 (0.62) CA2CA1PTPN1PTPN11MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232425-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2023-08-30 — — EP disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 — — WO disclosed
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