SCHEMBL30205447

SCHEMBL30205447

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 5/20 0.62
HSD17B10 Q99714 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TIMP3 P35625 4/20 0.62
SIRT2 Q8IXJ6 4/20 0.62
SIRT1 Q96EB6 4/20 0.62
MAPT P10636 4/20 0.62
RECQL P46063 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
PKM P14618 2/20 0.62
BRCA1 P38398 2/20 0.62
USP2 O75604 2/20 0.62
P2RY11 Q96G91 2/20 0.62
CYP1A2 P05177 2/20 0.62
ENPP3 O14638 1/20 0.62
ENTPD3 O75355 1/20 0.62
NR1I2 O75469 1/20 0.62
PRKD3 O94806 1/20 0.62
TDP2 O95551 1/20 0.62

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
SCHEMBL17903023 0.92 HSD17B10 (0.56) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL11758262 0.90 HSD17B10 (0.58) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL12903154 0.90 HPSE (0.64) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL17903265 0.89 P2RY11 (0.78) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL5501853 0.88 P2RY11 (0.77) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL30205450 0.87 TDP1 (0.56) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL11209218 0.83 AURKB (0.53) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL11435682 0.83 HSD17B10 (0.51) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL11582287 0.82 AURKB (0.52) HPSEHSD17B10MEN1KMT2ATIMP3
SCHEMBL11758756 0.81 TIMP3 (0.54) HPSEHSD17B10MEN1KMT2ATIMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077830-B2 Methods for detecting norovirus QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2024-09-03 US disclosed
US-20230279513-A1 METHODS FOR DETECTING NOROVIRUS QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2023-09-07 US disclosed
US-11555223-B2 Methods for detecting Norovirus QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2023-01-17 US disclosed