SCHEMBL28579618

SCHEMBL28579618

NCCC(=O)Nc1cccc(Cn2c(C(=O)N[C@H]3CC[C@H](N)CC3)cc3ccc(NC=O)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.44
▸ ST14 Q9Y5Y6 1/20 0.44
▸ SMYD3 Q9H7B4 5/20 0.42
▸ F10 P00742 12/20 0.41
▸ ECE1 P42892 1/20 0.38
▸ ACKR3 P25106 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
SCHEMBL28579688 0.93 F2 (0.48) F2ST14SMYD3F10
SCHEMBL25015731 0.87 ST14 (0.52) F2ST14SMYD3F10
SCHEMBL28572119 0.83 ST14 (0.43) F2ST14SMYD3F10
SCHEMBL25017867 0.81 F2 (0.57) F2ST14F10
SCHEMBL28573730 0.78 F2 (0.50) F2ST14SMYD3F10
SCHEMBL25016802 0.78 ACKR3 (0.45) F2ST14F10ACKR3
SCHEMBL28573728 0.78 F2 (0.50) F2ST14SMYD3F10
SCHEMBL25015854 0.74 F10 (0.46) F2ST14F10
SCHEMBL28961405 0.74 SMYD3 (0.46) F2SMYD3F10
SCHEMBL28961404 0.74 SMYD3 (0.46) F2SMYD3F10

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-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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