SCHEMBL4739573

SCHEMBL4739573

COc1ccc(CC(=S)NCc2ccc(OC)cc2OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.56
ALDH1A1 P00352 4/20 0.50
PKM P14618 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
QPCT Q16769 1/20 0.47

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
SCHEMBL4786270 0.91 KMT2A (0.60) APLNRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL26324037 0.81 APLNR (0.65) APLNRALDH1A1PKMTAS1R3TAS1R1
SCHEMBL2226834 0.80 APLNR (0.63) APLNRALDH1A1PKMTAS1R3TAS1R1
SCHEMBL20496920 0.78 APLNR (0.61) APLNRALDH1A1PKMTAS1R3TAS1R1
SCHEMBL18415441 0.76 TAS1R3 (0.67) APLNRALDH1A1PKMMEN1KMT2A
SCHEMBL10643468 0.76 APLNR (0.67) APLNRALDH1A1MEN1KMT2ATSHR
SCHEMBL8829977 0.75 TAS1R3 (0.68) APLNRALDH1A1MEN1KMT2ATAS1R3
SCHEMBL933063 0.75 APLNR (0.76) APLNRALDH1A1PKMMEN1KMT2A
SCHEMBL10141758 0.75 APLNR (0.65) APLNRALDH1A1PKMTAS1R3TAS1R1
SCHEMBL2261220 0.75 APLNR (0.65) APLNRALDH1A1PKMMEN1KMT2A

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
WO-2008077170-A2 BENZOTHIOAMIDES, AND USE THEREOF FOR RELAXING SMOOTH MUSCLES Universität Wien (AT) 2008-07-03 WO disclosed