SCHEMBL26528590

SCHEMBL26528590

CSc1ncc(C#CCCCC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.40
▸ ATM Q13315 2/20 0.40
▸ NPSR1 Q6W5P4 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ SUCNR1 Q9BXA5 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL24642859 0.92 TDP1 (0.36) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL26528591 0.86 CA1 (0.42) TDP1NPSR1KMT2APOLBGAA
SCHEMBL26527755 0.84 GLP1R (0.39) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL31538101 0.84 GLP1R (0.39) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL30604905 0.83 GLP1R (0.39) TDP1ATMNPSR1POLBMAPT
SCHEMBL24642860 0.81 CA2 (0.36) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL24642846 0.78 CAPN1 (0.39) TDP1ATMMEN1KMT2AITGB1
SCHEMBL21602732 0.77 MEN1 (0.50) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL24642734 0.77 NPSR1 (0.42) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL31601080 0.76 MEN1 (0.57) TDP1MEN1KMT2AGAAFOLH1

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-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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