SCHEMBL6153260

SCHEMBL6153260

Nc1ccccc1Sc1cc2c(c3ccccc13)C(=O)OC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
PDE7A Q13946 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL1025152 0.79 NQO1 (0.44) SMN1; SMN2CYP3A4ALDH1A1PKMMAPT
SCHEMBL29501880 0.78 ALOX15 (0.39) SMN1; SMN2CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL6153263 0.75 TYMS (0.47) GFERPDE7ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL13717077 0.72 S100A4 (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29869345 0.70 MEN1 (0.68) GFERPDE7ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL713707 0.70 MEN1 (0.68) GFERPDE7ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1518035 0.68 ALOX15 (0.43) SMN1; SMN2CYP1A2CYP2C9ALDH1A1MAPT
SCHEMBL9166710 0.68 CA12 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL31634605 0.68 CYP1A2 (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4959186 0.68 ALOX15 (0.43) SMN1; SMN2CYP1A2ALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347019-A REACTING 4-HALONAPHTHALIC ANHYDRIDES WITH 2-AMINOTHIOPHENOLATES CASSELLA AG (DE) 1994-09-13 US claimed
JP-6080660-A None JP disclosed
EP-1517316-A1 New azo type dyes for optical data recording CLARIANT INTERNATIONAL LTD. (CH) 2005-03-23 EP disclosed
US-5347019-A REACTING 4-HALONAPHTHALIC ANHYDRIDES WITH 2-AMINOTHIOPHENOLATES CASSELLA AG (DE) 1994-09-13 US disclosed
US-5347019-A REACTING 4-HALONAPHTHALIC ANHYDRIDES WITH 2-AMINOTHIOPHENOLATES CASSELLA AG (DE) 1994-09-13 US disclosed
US-5347019-A REACTING 4-HALONAPHTHALIC ANHYDRIDES WITH 2-AMINOTHIOPHENOLATES CASSELLA AG (DE) 1994-09-13 US disclosed
JP-H0680660-A PREPARATION OF 4-(2-AMINOPHENYLTHIO)NAPHTHALIC ANHYDRIDE DERIVATIVE CASSELLA AG 1994-03-22 JP disclosed