SCHEMBL17745050

SCHEMBL17745050

COc1cc(N)c(C)cc1NC1=CC(=O)C(NCCCO)=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.37
▸ SENP8 Q96LD8 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ SENP6 Q9GZR1 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ RAD52 P43351 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ HTR4 Q13639 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ FYN P06241 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
SCHEMBL11383936 0.80 MEN1 (0.39) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL15039274 0.80 KDR (0.38) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL11391477 0.79 MAPT (0.35) KMT2AMEN1ALDH1A1BRD4POLB
SCHEMBL15020242 0.78 KDR (0.34) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL123696 0.75 MAPT (0.39) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL15020219 0.75 CYP19A1 (0.36) APAF1ALDH1A1BRD4MAPTBLM
SCHEMBL10787660 0.75 MEN1 (0.37) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL11388638 0.68 — —
SCHEMBL15039281 0.66 — —
SCHEMBL1916068 0.66 MEN1 (0.38) CASP3SENP8SENP7SENP6KMT2A

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-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP claimed
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