SCHEMBL11838980

SCHEMBL11838980

CC(=O)Nc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccco2)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SLC12A2 P55011 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ APP P05067 5/20 0.42
▸ POLB P06746 4/20 0.42
▸ AQP1 P29972 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CA12 O43570 1/20 0.40

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
SCHEMBL11844329 0.88 ALDH1A1 (0.48) ALDH1A1LMNAHPGDTSHRCA2
SCHEMBL11842089 0.87 LMNA (0.51) ALDH1A1LMNAHPGDTSHRCA2
SCHEMBL11796927 0.84 ALDH1A1 (0.42) ALDH1A1LMNAHPGDTSHRCA2
SCHEMBL11788072 0.82 ALDH1A1 (0.64) ALDH1A1LMNAHPGDTSHRCA2
SCHEMBL11777201 0.82 GAA (0.45) ALDH1A1LMNAHPGDCA2USP2
SCHEMBL11844827 0.79 LMNA (0.45) ALDH1A1LMNAHPGDTSHRCA2
SCHEMBL11802821 0.77 ALDH1A1 (0.56) ALDH1A1LMNAHPGDTSHRCA2
SCHEMBL11846360 0.75 PKM (0.60) ALDH1A1LMNAHPGDTSHRCA2
SCHEMBL19300067 0.75 ALDH1A1 (0.61) ALDH1A1LMNAHPGDTSHRCA2
SCHEMBL11843998 0.75 ALDH1A1 (0.55) ALDH1A1LMNAHPGDTSHRCA2

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
US-3939267-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-02-17 — — US disclosed
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