SCHEMBL28979055

SCHEMBL28979055

O=C1SC(=Cc2ccc(F)c(O)c2)C(=O)N1Cc1cc(O)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.57
▸ AKR1B1 P15121 8/20 0.49
▸ PTPN1 P18031 3/20 0.49
▸ ACP1 P24666 3/20 0.49
▸ BAG3 O95817 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PTPN2 P17706 1/20 0.46

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
SCHEMBL29411707 1.00 PIM1 (0.57) PIM1AKR1B1PTPN1ACP1BAG3
SCHEMBL26709491 1.00 PIM1 (0.57) PIM1AKR1B1PTPN1ACP1BAG3
SCHEMBL28979085 0.84 PTPN1 (0.60) AKR1B1PTPN1ACP1ALDH1A1PPARG
SCHEMBL26709485 0.84 PTPN1 (0.60) AKR1B1PTPN1ACP1ALDH1A1PPARG
SCHEMBL29411713 0.84 PTPN1 (0.60) AKR1B1PTPN1ACP1ALDH1A1PPARG
SCHEMBL28978724 0.83 ENPP2 (0.53) PIM1PTPN1ACP1BAG3ALDH1A1
SCHEMBL26709495 0.83 ENPP2 (0.53) PIM1PTPN1ACP1BAG3ALDH1A1
SCHEMBL29411674 0.83 ENPP2 (0.53) PIM1PTPN1ACP1BAG3ALDH1A1
SCHEMBL26606767 0.83 MEN1 (0.64) PIM1PTPN1ACP1PPARGPTPN2
SCHEMBL28978727 0.82 ENPP2 (0.51) PIM1PTPN1ACP1ALDH1A1PTPN2

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
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