SCHEMBL21822834

SCHEMBL21822834

CC(=O)ON=C(N)c1ccc2cc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)n(Cc3ccc4ccccc4c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ F10 P00742 8/20 0.43
▸ F2 P00734 6/20 0.42
▸ PRSS1 P07477 6/20 0.42
▸ TP53 P04637 4/20 0.41
▸ LMNA P02545 3/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ GNRHR P30968 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.38
▸ TPSD1 Q9BZJ3 1/20 0.38
▸ TPSG1 Q9NRR2 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL28573746 0.92 KDM4E (0.51) KDM4EPKMF10F2PRSS1
SCHEMBL21823023 0.89 F10 (0.55) KDM4EPKMF10F2PRSS1
SCHEMBL21822837 0.84 F10 (0.39) F10F2PRSS1BCHEMAOB
SCHEMBL21822651 0.83 KDM4E (0.51) KDM4EPKMF10TP53LMNA
SCHEMBL28588834 0.82 F10 (0.43) F10F2PRSS1
SCHEMBL28588833 0.82 F10 (0.43) F10F2PRSS1
SCHEMBL30180747 0.82 F10 (0.43) F10F2PRSS1
SCHEMBL25017546 0.76 F10 (0.43) F10F2PRSS1BRD4BCHE
SCHEMBL21822470 0.76 F10 (0.43) F10F2PRSS1BRD4BCHE
SCHEMBL21822469 0.76 F10 (0.43) F10F2PRSS1BRD4BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860636-B1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE INC (US) 2026-01-28 — — EP disclosed
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
Send feedback