SCHEMBL30544862

SCHEMBL30544862

Cc1ccc(-c2cnn(C(=O)N[C@@H](CCCCN)C(=O)O)n2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ SLC15A2 Q16348 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ C3AR1 Q16581 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 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
SCHEMBL30544861 0.82 MMP2 (0.46) FOLH1CA1CA2SLC15A2MMP2
SCHEMBL30544866 0.79 FOLH1 (0.37) FOLH1CA1CA2SLC15A2MMP2
SCHEMBL34467661 0.78 HPGD (0.35) ALDH1A1MAPTKDM4EMEN1PKM
SCHEMBL31300264 0.76 NOS1 (0.34) ALDH1A1MAPTKDM4EMEN1PKM
SCHEMBL34467670 0.72 TDP1 (0.42) ALDH1A1NPSR1MAPTKDM4EMEN1
SCHEMBL30544854 0.71 FOLH1 (0.51) FOLH1CA1CA2SLC15A2MMP2
SCHEMBL43996 0.64 FOLH1 (0.66) FOLH1CA1CA2SLC15A2MMP2
SCHEMBL9875634 0.64 FOLH1 (0.66) FOLH1CA1CA2SLC15A2MMP2
SCHEMBL43995 0.64 FOLH1 (0.66) FOLH1CA1CA2SLC15A2MMP2
SCHEMBL9161774 0.63 ERAP2 (0.49) FOLH1CA1CA2ERAP2ERAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4496837-A2 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF The Research Foundation for The State University of New York (US) 2025-01-29 — — EP disclosed
WO-2023178107-A2 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-09-21 — — WO disclosed
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