SCHEMBL25938744

SCHEMBL25938744

COc1cnc2c(c1)c(C(N)=O)c(CNC(=N)N)n2C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 9/20 0.43
▸ MTNR1B P49286 8/20 0.41
▸ KDM4E B2RXH2 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.33
▸ REN P00797 1/20 0.33
▸ HPGDS O60760 2/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ KARS1 Q15046 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32

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
SCHEMBL25938395 0.88 SMN1; SMN2 (0.40) MTNR1AMTNR1BKDM4EPOLBSMN1; SMN2
SCHEMBL25948787 0.87 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMAP3K14REN
SCHEMBL25942293 0.83 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMAP3K14REN
SCHEMBL25941254 0.79 SMN1; SMN2 (0.38) MTNR1AKDM4EPOLBSMN1; SMN2PDE4B
SCHEMBL25938502 0.77 MAPT (0.40) KDM4EPOLBSMN1; SMN2
SCHEMBL25942292 0.76 MTNR1A (0.38) MTNR1AMTNR1BKDM4EMAP3K14REN
SCHEMBL25938503 0.74 PDE4B (0.37) MTNR1AKDM4EPOLBSMN1; SMN2PDE4B
SCHEMBL25948520 0.73 MAPT (0.40) MTNR1AKDM4EPOLBSMN1; SMN2PDE4B
SCHEMBL25940711 0.69 ALOX5 (0.44) MTNR1AKDM4EPOLBSMN1; SMN2PDE4B
SCHEMBL21979493 0.68 MTNR1A (0.42) MTNR1AMTNR1BKDM4ESMN1; SMN2

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 — — EP disclosed
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