SCHEMBL21822433

SCHEMBL21822433

CC(C)(C)OC(=O)NC(=N)c1ccc2cc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ NAMPT P43490 3/20 0.51
▸ CYP2C9 P11712 1/20 0.45
▸ F2 P00734 2/20 0.44
▸ PLG P00747 2/20 0.44
▸ PRSS1 P07477 2/20 0.44
▸ PRSS2 P07478 2/20 0.44
▸ PRSS3 P35030 2/20 0.44
▸ TPSAB1 Q15661 2/20 0.44
▸ TPSD1 Q9BZJ3 2/20 0.44
▸ TPSG1 Q9NRR2 2/20 0.44
▸ CHEK2 O96017 2/20 0.41
▸ GNRHR P30968 1/20 0.41
▸ RET P07949 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ RORC P51449 1/20 0.40

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
SCHEMBL3449048 0.78 CYP2C9 (0.53) KDM4EPKMNAMPTCYP2C9BRD3
SCHEMBL3449051 0.78 CYP2C9 (0.53) KDM4EPKMNAMPTCYP2C9BRD3
SCHEMBL25016345 0.78 RET (0.41) RETKDR
SCHEMBL22533699 0.77 CYP2C9 (0.58) KDM4EPKMNAMPTCYP2C9
SCHEMBL28573693 0.77 KDM4E (0.51) KDM4EPKMGNRHRRORC
SCHEMBL21822456 0.76 EIF4A3 (0.47) KDM4EPLG
SCHEMBL25015770 0.75 KDM4E (0.49) KDM4EPKMGNRHR
SCHEMBL21822374 0.73 ALOX15 (0.53) KDM4EPLG
SCHEMBL10144835 0.73 KDM4E (0.76) KDM4EPKMNAMPTGNRHR
SCHEMBL3447178 0.73 CYP2C9 (0.55) KDM4EPKMNAMPTCYP2C9

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-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO disclosed
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