SCHEMBL16588403

SCHEMBL16588403

C=Nc1ccc(C)cc1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ THRB P10828 1/20 0.47
▸ KMT2A Q03164 5/20 0.46
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KCNMA1 Q12791 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ DYRK1A Q13627 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
SCHEMBL20246785 0.78 ALDH1A1 (0.55) HSD17B10KMT2AHPGDNPC1MAPT
SCHEMBL9686607 0.78 KMT2A (0.49) TDP1HSD17B10THRBKMT2AHPGD
SCHEMBL90967 0.77 ALDH1A1 (0.59) TDP1HSD17B10KMT2AHPGDNPC1
SCHEMBL12446713 0.77 MAPT (0.44) THRBKMT2AHPGDNPC1MAPT
SCHEMBL1224549 0.76 KCNMA1 (0.62) THRBKMT2ANPC1MAPTHTT
SCHEMBL22791425 0.75 GAA (0.37) HPGDNPC1MAPTHTTGAA
SCHEMBL4913081 0.74 RXFP1 (0.51) TDP1HSD17B10THRBKMT2AHPGD
SCHEMBL10034515 0.74 LMNA (0.56) TDP1HSD17B10KMT2AHPGDNPC1
SCHEMBL30832967 0.74 HDAC1 (0.60) TDP1HSD17B10THRBKMT2AHPGD
SCHEMBL10896720 0.74 ALDH1A1 (0.60) TDP1HSD17B10KMT2AHPGDNPC1

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-1313435-B2 BLEACHING COMPOSITION FOR DYED KERATINOUS FIBRES ORÉAL L (FR) 2016-08-10 — — EP disclosed
EP-1326576-B2 COSMETIC COMPOSITION CONTAINING SULPHINIC ACID DERIVATIVES ORÉAL L (FR) 2015-03-25 — — EP disclosed
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