SCHEMBL21065266

SCHEMBL21065266

Cc1cc(=O)nc(NC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NPSR1 Q6W5P4 9/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 6/20 0.42
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ACE P12821 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ SUCNR1 Q9BXA5 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL21065264 1.00 TDP1 (0.43) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL12462647 0.93 TDP1 (0.52) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL12374471 0.88 FOLH1 (0.46) —
SCHEMBL12462230 0.86 CCNC (0.45) TDP1KMT2AMEN1GAACA1
SCHEMBL27047926 0.84 TDP1 (0.44) TDP1NPSR1KMT2AMEN1MAPT
SCHEMBL12374474 0.84 ABL1 (0.37) NPSR1
SCHEMBL23912468 0.79 FOLH1 (0.37) —
SCHEMBL14577308 0.79 CCNC (0.37) TDP1KMT2AMEN1GAA
SCHEMBL21122704 0.79 TDP1 (0.47) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL21065294 0.78 NAALAD2 (0.47) KDM4E

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-2521530-B1 COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, KIT, AND COMPOUND OREAL (FR) 2019-06-26 — — EP disclosed
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