SCHEMBL11777201

SCHEMBL11777201

CC(=O)Nc1ccc(Nc2c(NCc3ccco3)cc(C(=O)O)cc2S(=O)(=O)Nc2ccccc2NC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ APP P05067 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39

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
SCHEMBL11780536 0.88 BDKRB1 (0.41) GAAALDH1A1RAB9AKMT2APOLB
SCHEMBL11780923 0.87 ALDH1A1 (0.51) GAAALDH1A1MAPTRAB9AUSP2
SCHEMBL11781725 0.84 GAA (0.43) GAAMAPK1ALDH1A1MAPTRAB9A
SCHEMBL11777521 0.82 ALDH1A1 (0.45) GAAMAPK1ALDH1A1MAPTRAB9A
SCHEMBL11838980 0.82 ALDH1A1 (0.47) GAAMAPK1ALDH1A1MAPTRAB9A
SCHEMBL11781708 0.81 MEN1 (0.48) GAAALDH1A1MAPTKMT2APOLB
SCHEMBL11780330 0.79 MEN1 (0.47) GAAMAPTKMT2APOLBSMN1; SMN2
SCHEMBL11778805 0.77 ALDH1A1 (0.53) GAAMAPK1ALDH1A1MAPTRAB9A
SCHEMBL11780616 0.76 PKM (0.59) GAAALDH1A1MAPTKMT2APOLB
SCHEMBL11796927 0.75 ALDH1A1 (0.42) GAAALDH1A1MAPTRAB9AUSP2

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-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 — — US disclosed
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