SCHEMBL8146374

SCHEMBL8146374

CC(=O)Nc1ccc(CS(=O)(=O)Cc2ccc(NC(C)=O)cc2N)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAOA P21397 1/20 0.43
RAB9A P51151 1/20 0.43
CDK1 P06493 1/20 0.42
AMY1A P0DUB6 1/20 0.42

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
SCHEMBL11127800 0.85 TDP1 (0.64) TDP1ALDH1A1CA2CA1CA9
SCHEMBL27931099 0.82 TDP1 (0.56) TDP1CYP2C19ALDH1A1CA2CA1
SCHEMBL28429508 0.77 TDP1 (0.55) TDP1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL30442658 0.76 TDP1 (0.60) TDP1CYP2C19ALDH1A1CA2CA1
SCHEMBL7509092 0.76 TDP1 (0.60) TDP1CYP2C19ALDH1A1CA2CA1
Hydrochloric Acid SCHEMBL7516181 0.74 TDP1 (0.58) TDP1CYP2C19ALDH1A1CA2CA1
SCHEMBL1522635 0.74 CA2 (0.57) TDP1PKMCYP2C19ALDH1A1CA2
SCHEMBL1755227 0.74 ENPP2 (0.56) TDP1PKMCYP2C19ALDH1A1CA2
Water SCHEMBL26111069 0.73 ENPP2 (0.55) TDP1PKMCYP2C19ALDH1A1CA2
SCHEMBL7050762 0.73 ENPP2 (0.55) TDP1PKMCYP2C19ALDH1A1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6045593-A Acid yellow dye and method for using same CK HOLDING CORPORATION, A DELAWARE CORPORATION 2000-04-04 US disclosed
EP-0944674-A1 ACID YELLOW DYE AND METHOD FOR USING SAME CROMPTON & KNOWLES CORPORATION (US) 1999-09-29 EP disclosed
US-5874547-A REACTING A PRIMARY AROMATIC AMINE WITH DIAZOTIZING AGENT IN SOLUTION; AZO DYES CROMPTON & KNOWLES CORPORATION (US) 1999-02-23 US disclosed
WO-1998022537-A1 ACID YELLOW DYE AND METHOD FOR USING SAME CROMPTON & KNOWLES CORPORATION (US) 1998-05-28 WO disclosed