SCHEMBL28978727

SCHEMBL28978727

O=C1SC(=Cc2ccc(F)c(O)c2)C(=O)N1Cc1cc(O)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.51
▸ PTPN1 P18031 5/20 0.50
▸ ACP1 P24666 5/20 0.50
▸ PIM1 P11309 1/20 0.49
▸ PTPN2 P17706 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47

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
SCHEMBL26709486 1.00 ENPP2 (0.51) ENPP2PTPN1ACP1PIM1PTPN2
SCHEMBL29411677 1.00 ENPP2 (0.51) ENPP2PTPN1ACP1PIM1PTPN2
SCHEMBL28979085 0.87 PTPN1 (0.60) ENPP2PTPN1ACP1PTPN2MEN1
SCHEMBL26709485 0.87 PTPN1 (0.60) ENPP2PTPN1ACP1PTPN2MEN1
SCHEMBL29411713 0.87 PTPN1 (0.60) ENPP2PTPN1ACP1PTPN2MEN1
SCHEMBL29411674 0.85 ENPP2 (0.53) ENPP2PTPN1ACP1PIM1PTPN2
SCHEMBL26709495 0.85 ENPP2 (0.53) ENPP2PTPN1ACP1PIM1PTPN2
SCHEMBL28978724 0.85 ENPP2 (0.53) ENPP2PTPN1ACP1PIM1PTPN2
SCHEMBL26606767 0.85 MEN1 (0.64) ENPP2PTPN1ACP1PIM1PTPN2
SCHEMBL29411707 0.82 PIM1 (0.57) PTPN1ACP1PIM1PTPN2ALDH1A1

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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