SCHEMBL25948787

SCHEMBL25948787

CNCc1c(C(N)=O)c2cc(OC)cnc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 8/20 0.43
▸ MTNR1B P49286 7/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ REN P00797 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ZAP70 P43403 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ EPHB4 P54760 1/20 0.33

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
SCHEMBL25938744 0.87 MTNR1A (0.43) MTNR1AMTNR1BKDM4ERENMAP3K14
SCHEMBL25942293 0.86 MTNR1A (0.43) MTNR1AMTNR1BKDM4ERENHPGD
SCHEMBL25942292 0.79 MTNR1A (0.38) MTNR1AMTNR1BKDM4ERENHPGD
SCHEMBL26184766 0.77 SMN1; SMN2 (0.39) KDM4EHPGDPOLBSMN1; SMN2PDE4B
SCHEMBL25938395 0.76 SMN1; SMN2 (0.40) MTNR1AMTNR1BKDM4EHPGDPOLB
SCHEMBL25948520 0.74 MAPT (0.40) MTNR1AKDM4EHPGDPOLBSMN1; SMN2
SCHEMBL25940711 0.71 ALOX5 (0.44) MTNR1AKDM4EHPGDPOLBSMN1; SMN2
SCHEMBL21979493 0.70 MTNR1A (0.42) MTNR1AMTNR1BKDM4EHPGDSMN1; SMN2
SCHEMBL25940696 0.70 SMN1; SMN2 (0.53) KDM4EHPGDPOLBSMN1; SMN2PDE4D
SCHEMBL8136831 0.66 MTNR1A (0.56) MTNR1AMTNR1B

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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