SCHEMBL29679965

SCHEMBL29679965

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.43
▸ MAOB P27338 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ GHSR Q92847 1/20 0.39
▸ NMT1 P30419 4/20 0.38
▸ NMT2 O60551 3/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ REN P00797 2/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL31385440 0.95 GHSR (0.41) KDM1AGHSRNMT1NMT2MEN1
SCHEMBL9120793 0.95 GHSR (0.41) KDM1AGHSRNMT1NMT2MEN1
SCHEMBL29588633 0.95 GHSR (0.41) KDM1AGHSRNMT1NMT2MEN1
SCHEMBL30613577 0.95 GHSR (0.41) KDM1AGHSRNMT1NMT2MEN1
SCHEMBL30522782 0.95 MEN1 (0.41) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30844347 0.95 KDM1A (0.43) KDM1AMAOBKDM5AKDM1BGHSR
SCHEMBL30437506 0.92 KDM1A (0.43) KDM1AMAOBKDM5AKDM1BGHSR
SCHEMBL30008261 0.92 NMT1 (0.44) KDM1AMAOBKDM5AKDM1BGHSR
SCHEMBL30844370 0.91 KDM1A (0.48) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30844301 0.91 KDM1A (0.48) KDM1AMAOBKDM5AKDM1BMAPK8

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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