SCHEMBL9751769

SCHEMBL9751769

CC(=O)Nc1ccc(N)cc1.CCSc1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
USP2 O75604 1/20 0.51
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL6033907 0.92 GAA (0.69) GAACYP2C19USP2RAB9AMEN1
SCHEMBL9751770 0.87 GAA (0.63) GAACYP2C19USP2RAB9AMEN1
SCHEMBL18653824 0.83 PKM (0.62) GAAPKMCYP2C19RAB9AMEN1
SCHEMBL92049 0.82 PKM (0.75) PKMCYP2C19RAB9AMEN1KMT2A
SCHEMBL7044085 0.81 ALDH1A1 (0.60) GAAPKMCYP2C19RAB9AMEN1
Hydrochloric Acid SCHEMBL4819296 0.80 PKM (0.72) PKMCYP2C19RAB9AMEN1KMT2A
Sulfur Dioxide SCHEMBL29118272 0.79 PKM (0.66) PKMCYP2C19RAB9AMEN1KMT2A
SCHEMBL9518238 0.79 GAA (0.71) GAACYP2C19USP2RAB9AMEN1
Bicarbonate SCHEMBL11481005 0.79 PKM (0.70) GAAPKMCYP2C19RAB9AMEN1
Nitrogen SCHEMBL28864896 0.79 PKM (0.70) PKMCYP2C19RAB9AMEN1KMT2A

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-0461182-A1 THERMALLY STABLE FORMS OF ELECTRICALLY CONDUCTIVE POLYANILINE. ALLIED SIGNAL INC (US) 1991-12-18 EP disclosed
WO-1990010297-A1 THERMALLY STABLE FORMS OF ELECTRICALLY CONDUCTIVE POLYANILINE ALLIED-SIGNAL INC. (US) 1990-09-07 WO disclosed