SCHEMBL29620864

SCHEMBL29620864

N#Cc1ncccc1N=C=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.53
ALDH1A1 P00352 4/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
CCR2 P41597 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP11B1 P15538 1/20 0.36
PLCG1 P19174 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
SCHEMBL7388303 0.75 APLNR (0.58) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL23577138 0.73 APLNR (0.61) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL21597747 0.73 APLNR (0.56) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL190351 0.73 APLNR (0.56) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL27532697 0.73 CYP11B1 (0.36) APLNRCYP11B1PLCG1LRRK2ELANE
SCHEMBL29164469 0.71 APLNR (0.33) APLNR
SCHEMBL14257313 0.70 APLNR (0.53) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL12456472 0.70 APLNR (0.42) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL2350798 0.70 ALDH1A1 (0.53) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL2828117 0.69 APLNR (1.00) APLNRALDH1A1ABCB11NR3C1CYP1A2

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-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed