SCHEMBL3467346

SCHEMBL3467346

Cc1ccc(-c2ccc(C)c(N)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
RAB9A P51151 3/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC3 O15379 2/20 0.45
PGR P06401 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
CASP1 P29466 1/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
GFER P55789 1/20 0.43
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 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
SCHEMBL14899400 0.85 ALDH1A1 (0.59) HSD17B1HSD17B2RAB9ATSHRHSD17B10
SCHEMBL12230849 0.82 PGR (0.47) HSD17B1HSD17B2HSD17B10HDAC1HDAC2
SCHEMBL11896432 0.78 ALDH1A1 (0.53) RAB9ATSHRHSD17B10HDAC1HDAC2
SCHEMBL3468208 0.78 PGR (0.48) HSD17B1HSD17B2RAB9ATSHRHSD17B10
SCHEMBL278994 0.77 HDAC1 (0.45) HSD17B1HSD17B2RAB9ATSHRHSD17B10
SCHEMBL31661348 0.76 CYP3A4 (0.62) RAB9ATSHRHSD17B10ALDH1A1TDP1
SCHEMBL6866139 0.76 CYP3A4 (0.62) RAB9ATSHRHSD17B10ALDH1A1TDP1
SCHEMBL9927249 0.76 APP (0.48) HSD17B1HSD17B2RAB9AHSD17B10PGR
SCHEMBL2608311 0.75 PGR (0.62) HSD17B1HSD17B2RAB9AHSD17B10HDAC1
SCHEMBL11896154 0.75 APP (0.70) HSD17B1HSD17B2RAB9AHSD17B10HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 WO disclosed
WO-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 WO disclosed