SCHEMBL29411674

SCHEMBL29411674

O=C1S/C(=C\c2ccc(F)c(O)c2)C(=O)N1Cc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.53
▸ PTPN1 P18031 6/20 0.53
▸ ACP1 P24666 5/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ NOD2 Q9HC29 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PTPN2 P17706 1/20 0.51
▸ PPARG P37231 2/20 0.50
▸ AMY1A P0DUB6 1/20 0.49
▸ DPP4 P27487 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ GAA P10253 1/20 0.49

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
SCHEMBL26709495 1.00 ENPP2 (0.53) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL28978724 1.00 ENPP2 (0.53) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL26606767 0.88 MEN1 (0.64) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL26709485 0.88 PTPN1 (0.60) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL28979085 0.88 PTPN1 (0.60) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL29411713 0.88 PTPN1 (0.60) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL29411677 0.85 ENPP2 (0.51) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL28978727 0.85 ENPP2 (0.51) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL26709486 0.85 ENPP2 (0.51) ENPP2PTPN1ACP1MEN1POLB
SCHEMBL28979066 0.84 NLRP3 (0.71) ENPP2PTPN1ACP1MEN1POLB

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-4200286-A1 COMPOUNDS AND METHODS OF MODULATING 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 Metrea Biosciences, Inc. (US) 2023-06-28 — — EP disclosed
WO-2022040324-A1 COMPOUNDS AND METHODS OF MODULATING 17β-ΗYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES, INC. (US) 2022-02-24 — — WO disclosed
Send feedback