SCHEMBL28979066

SCHEMBL28979066

O=C1SC(=Cc2ccc(F)c(O)c2)C(=O)N1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.71
▸ PIM1 P11309 1/20 0.61
▸ MEN1 O00255 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ NOD2 Q9HC29 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PPARG P37231 2/20 0.52
▸ ENPP2 Q13822 2/20 0.50
▸ PTPN1 P18031 2/20 0.48
▸ ACP1 P24666 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CASP3 P42574 1/20 0.48

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
SCHEMBL26709466 1.00 NLRP3 (0.71) NLRP3PIM1MEN1POLBKMT2A
SCHEMBL26709485 0.88 PTPN1 (0.60) NLRP3MEN1POLBKMT2AALDH1A1
SCHEMBL28979085 0.88 PTPN1 (0.60) NLRP3MEN1POLBKMT2AALDH1A1
SCHEMBL29411713 0.88 PTPN1 (0.60) NLRP3MEN1POLBKMT2AALDH1A1
SCHEMBL26606767 0.86 MEN1 (0.64) PIM1MEN1POLBKMT2AMAPK1
SCHEMBL29411695 0.85 PIM1 (0.60) NLRP3PIM1MEN1POLBKMT2A
SCHEMBL26709501 0.85 PIM1 (0.60) NLRP3PIM1MEN1POLBKMT2A
SCHEMBL29411674 0.84 ENPP2 (0.53) NLRP3PIM1MEN1POLBKMT2A
SCHEMBL28978724 0.84 ENPP2 (0.53) NLRP3PIM1MEN1POLBKMT2A
SCHEMBL26709495 0.84 ENPP2 (0.53) NLRP3PIM1MEN1POLBKMT2A

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
CN-115916762-A Compounds and methods for modulating 17 beta-hydroxysteroid dehydrogenase type 13 梅特雷亚生物科学股份有限公司 2023-04-04 — — CN disclosed
Send feedback