SCHEMBL23617044

SCHEMBL23617044

CCOC(=S)Cc1ccc(OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.45
RAD52 P43351 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CA2 P00918 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL23617021 0.81 APLNR (0.50) APLNRALDH1A1POLBTDP1MEN1
SCHEMBL21455751 0.81 ALDH1A1 (0.53) APLNRALDH1A1POLBTDP1MEN1
SCHEMBL30482840 0.81 ALDH1A1 (0.53) APLNRALDH1A1POLBTDP1MEN1
SCHEMBL23617043 0.80 APLNR (0.56) APLNRALDH1A1MEN1KMT2AHPGD
SCHEMBL23616865 0.79 LMNA (0.50) MEN1KMT2ATSHRTAAR1MAPT
SCHEMBL10650486 0.77 MAPT (0.53) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL8452208 0.77 MEN1 (0.49) APLNRALDH1A1POLBTDP1MEN1
SCHEMBL3027059 0.76 APLNR (0.59) APLNRALDH1A1MEN1KMT2ACA2
SCHEMBL6624872 0.75 HSD17B10 (0.54) APLNRALDH1A1TDP1MEN1KMT2A
SCHEMBL6622974 0.75 HSD17B10 (0.54) APLNRALDH1A1POLBTDP1MEN1

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed