SCHEMBL30278456

SCHEMBL30278456

COC(=O)c1cc2c(cc1OC)CCN(S(=O)(=O)c1ccc(F)cc1)C2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.61
CYP19A1 P11511 2/20 0.56
LMNA P02545 1/20 0.56
AKR1C3 P42330 1/20 0.54
KMT2A Q03164 3/20 0.54
PDE4B Q07343 3/20 0.54
PDE4D Q08499 2/20 0.54
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA7 P43166 1/20 0.48
MAPT P10636 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
SCHEMBL25734257 1.00 PKM (0.61) PKMCYP19A1LMNAAKR1C3KMT2A
SCHEMBL25072845 0.90 PKM (0.63) PKMCYP19A1LMNAAKR1C3KMT2A
SCHEMBL30278517 0.90 PKM (0.63) PKMCYP19A1LMNAAKR1C3KMT2A
SCHEMBL29221746 0.81 KMT2A (0.46) PKMCYP19A1LMNAKMT2AMEN1
SCHEMBL25073106 0.78 MEN1 (0.59) PKMAKR1C3KMT2AMEN1CYP3A4
SCHEMBL25072625 0.77 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2834605 0.76 PKM (0.79) PKMCYP19A1LMNAAKR1C3KMT2A
SCHEMBL5915342 0.76 PDE4B (0.81) PKMCYP19A1LMNAAKR1C3KMT2A
SCHEMBL4013512 0.74 KMT2A (0.55) PKMLMNAAKR1C3KMT2AMEN1
SCHEMBL3061348 0.74 PKM (0.84) PKMLMNAAKR1C3PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 CN disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed