SCHEMBL28447103

SCHEMBL28447103

Cc1c[c]ccc1N=C=S

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
CCR2 P41597 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27527601 0.80 CYP3A4 (0.45) ALDH1A1GABRA1GABRB2CYP3A4HPGD
SCHEMBL8990969 0.76 ABCB11 (0.33) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL11549000 0.72
SCHEMBL7848863 0.72 APLNR (0.40) ALDH1A1GABRA1GABRB2ABCB11NR3C1
SCHEMBL29644492 0.70 ALDH1A1 (0.52) ALDH1A1GABRA1GABRB2ABCB11NR3C1
SCHEMBL348805 0.70 ALDH1A1 (0.52) ALDH1A1GABRA1GABRB2ABCB11NR3C1
SCHEMBL58209 0.67
SCHEMBL1993331 0.67 ALDH1A1 (0.41) ALDH1A1GABRA1GABRB2ABCB11NR3C1
SCHEMBL945304 0.67 NPC1 (0.46) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL30421135 0.67 NPC1 (0.46) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207851-B Method for producing photochromic cured product 株式会社德山 2020-07-17 CN disclosed