SCHEMBL17745047

SCHEMBL17745047

Cc1cc(NC2=CC(=O)C(NC(C)CCO)=CC2=O)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ DNM1 Q05193 1/20 0.36
▸ RAC1 P63000 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ BCL6 P41182 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TDP2 O95551 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL15020270 0.80 — —
SCHEMBL17745046 0.79 DNM1 (0.39) ALDH1A1CYP3A4HIF1ATDP1DNM1
SCHEMBL15039275 0.76 ALDH1A1 (0.42) ALDH1A1THRBCYP3A4ALOX15RECQL
SCHEMBL17745049 0.75 — —
SCHEMBL15039277 0.74 ALDH1A1 (0.39) ALDH1A1THRBCYP3A4ALOX15RECQL
SCHEMBL10046786 0.70 ALDH1A1 (0.45) ALDH1A1THRBCYP3A4ALOX15RECQL
SCHEMBL15020227 0.69 CYP3A4 (0.41) ALDH1A1THRBCYP3A4ALOX15RECQL
SCHEMBL15039680 0.69 CYP3A4 (0.41) ALDH1A1THRBCYP3A4ALOX15RECQL
SCHEMBL15020225 0.69 CYP3A4 (0.41) ALDH1A1THRBCYP3A4ALOX15RECQL
SCHEMBL4861296 0.69 ALDH1A1 (0.49) ALDH1A1THRBCYP3A4ALOX15RECQL

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-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
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 disclosed
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