SCHEMBL8976515

SCHEMBL8976515

CC(=O)Nc1cccc(N)c1.CSc1ccc(N)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
DDX3X O00571 2/20 0.54
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS2 P35354 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
NR4A1 P22736 1/20 0.45
RAB9A P51151 1/20 0.45
ALOX5 P09917 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL374432 0.86 ALDH1A1 (1.00) ALDH1A1DDX3XHSD17B10CYP1A2SMN1; SMN2
SCHEMBL29557251 0.86 ALDH1A1 (1.00) ALDH1A1DDX3XHSD17B10CYP1A2SMN1; SMN2
SCHEMBL7044085 0.84 ALDH1A1 (0.60) ALDH1A1PTGS2SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL2481626 0.84 ALDH1A1 (0.96) ALDH1A1DDX3XHSD17B10CYP1A2SMN1; SMN2
SCHEMBL7213088 0.82 ALDH1A1 (0.78) ALDH1A1DDX3XHSD17B10CYP1A2SMN1; SMN2
Formic Acid SCHEMBL11684985 0.80 ALDH1A1 (0.86) ALDH1A1DDX3XHSD17B10CYP1A2SMN1; SMN2
SCHEMBL5208634 0.79 MAPT (0.70) ALDH1A1HSD17B10CYP1A2SMN1; SMN2MEN1
SCHEMBL8976519 0.79 PTGS2 (0.54) ALDH1A1HSD17B10CYP1A2PTGS2SMN1; SMN2
SCHEMBL6798003 0.76 ALDH1A1 (0.80) ALDH1A1DDX3XHSD17B10CYP1A2SMN1; SMN2
SCHEMBL21282756 0.76 ALDH1A1 (0.78) ALDH1A1DDX3XSMN1; SMN2MEN1KMT2A

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-0705295-A1 ELECTRICALLY CONDUCTING POLYANILINE: METHOD FOR EMULSION POLYMERIZATION NESTE OY (FI) 1996-04-10 EP disclosed
WO-1994003528-A1 ELECTRICALLY CONDUCTING POLYANILINE: METHOD FOR EMULSION POLYMERIZATION NESTE OY (FI) 1994-02-17 WO disclosed