SCHEMBL9013559

SCHEMBL9013559

N#Cc1c(Cc2ccccc2)nsc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TAAR1 Q96RJ0 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
LTB4R Q15722 2/20 0.39
MAPT P10636 3/20 0.37
GAA P10253 3/20 0.37
ALPG P10696 1/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2A P29274 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM6 O15303 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL442529 0.84 HIF1A (0.43) ALDH1A1SMN1; SMN2MAPTGAAADORA1
SCHEMBL11203252 0.72 GAA (0.38) ALDH1A1SMN1; SMN2TSHRMAPTGAA
SCHEMBL5150675 0.71 ADORA1 (0.56) ADORA1ADORA2AHSD17B10GRM6ADORA2B
SCHEMBL8916628 0.71 PARP1 (0.44) ALDH1A1TSHRLTB4RGAAADORA1
SCHEMBL11607248 0.70 KDM4E (0.46) ALDH1A1TAAR1SMN1; SMN2TSHRMAPT
SCHEMBL11607254 0.70 ALDH1A1 (0.48) ALDH1A1TAAR1SMN1; SMN2TSHRGAA
SCHEMBL6072067 0.70 KDM4E (0.51) ALDH1A1SMN1; SMN2TSHRLTB4RMAPT
SCHEMBL11765477 0.69 MAPK1 (0.50) ALDH1A1SMN1; SMN2TSHRMAPTGAA
SCHEMBL11607260 0.69 SIGMAR1 (0.40) ALDH1A1TAAR1SMN1; SMN2TSHRMEN1
SCHEMBL4064974 0.69 ADORA1 (0.45) ALDH1A1TSHRLTB4RMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534296-B1 Azo dyes with a quinoline-type coupling component BASF AG (DE) 1996-12-04 EP disclosed
US-5306815-A Azo dyes with a coupling component of the quinoline series BASF AKTIENGESELLSCHAFT (DE) 1994-04-26 US disclosed
EP-0534296-A1 Azo dyes with a quinoline-type coupling component BASF Aktiengesellschaft (DE) 1993-03-31 EP disclosed
EP-0087677-B1 ISOTHIAZOLAZO DYESTUFFS BASF Aktiengesellschaft (DE) 1985-07-17 EP disclosed
US-4496480-A Isothiazolazo dyes having coupling components which are free from unsaturated aliphatic radicals BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
EP-0131757-A1 Disazo dyestuffs of the isothiazole series BASF Aktiengesellschaft (DE) 1985-01-23 EP disclosed
EP-0087677-A1 Isothiazolazo dyestuffs BASF Aktiengesellschaft (DE) 1983-09-07 EP disclosed
EP-0083009-A1 Dispersion dyestuffs BASF Aktiengesellschaft (DE) 1983-07-06 EP disclosed