SCHEMBL21822393

SCHEMBL21822393

NC(=O)c1ccc(Cn2c(C(=O)Nc3ccc(N4CCCC4)cc3)cc3ccc(C(N)=NO)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ MAPT P10636 9/20 0.45
▸ KMT2A Q03164 8/20 0.45
▸ SMN1; SMN2 Q16637 8/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ MCL1 Q07820 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ USP2 O75604 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ TP53 P04637 3/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL25016691 1.00 RAB9A (0.45) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21822390 1.00 RAB9A (0.45) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21822340 0.91 KCNQ2 (0.42) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21822338 0.91 KCNQ2 (0.42) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL25017077 0.91 KCNQ2 (0.42) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL25015851 0.89 PLG (0.47) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL25015847 0.89 PLG (0.47) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21822355 0.86 MAPT (0.51) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21822353 0.86 MAPT (0.51) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL25015885 0.86 BTK (0.39) KMT2AMEN1ALDH1A1HPGDF10

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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