SCHEMBL23894075

SCHEMBL23894075

C#CC(=O)N(CCC(N)=O)N(CCC(=O)O)C(=O)C#C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ KDM5C P41229 1/20 0.30
▸ PHF8 Q9UPP1 1/20 0.30
▸ KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL23894170 0.90 CYP2D6 (0.37) CYP2D6MAPTNFKB1LMNACYP1A2
SCHEMBL23894076 0.79 ALDH1A1 (0.33) CYP2D6MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23901176 0.73 ALDH1A1 (0.34) CYP2D6MAPTNFKB1LMNACYP1A2
SCHEMBL20160128 0.73 ALDH1A1 (0.39) CYP2D6MAPTNFKB1LMNACYP1A2
SCHEMBL11503750 0.72 LMNA (0.40) NFKB1LMNACYP1A2CYP2C19KDM4E
SCHEMBL23901201 0.69 — —
SCHEMBL23893966 0.68 ALDH1A1 (0.36) CYP2D6MAPTNFKB1LMNACYP1A2
SCHEMBL36056 0.63 — —
Succinamide SCHEMBL1864469 0.63 LMNA (0.64) CYP2D6NFKB1LMNACYP1A2KDM4E
Succinic Acid SCHEMBL30870384 0.63 LMNA (0.64) CYP2D6NFKB1LMNACYP1A2KDM4E

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-3888691-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-10-06 — — EP disclosed
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