SCHEMBL11440904

SCHEMBL11440904

Nc1cccc(C(=O)Nc2ccc3c(O)cccc3c2S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HDAC1 Q13547 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ PTGS1 P23219 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ ULK1 O75385 1/20 0.42
▸ CASP6 P55212 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ GAA P10253 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
SCHEMBL11426294 0.88 CASP6 (0.51) HSD17B10SMN1; SMN2NPSR1HDAC1MAPT
SCHEMBL11761572 0.87 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPSR1HDAC1MAPT
SCHEMBL11440869 0.85 HPSE (0.42) HSD17B10HDAC1MAPTMEN1KMT2A
SCHEMBL10909111 0.85 KMT2A (0.47) HSD17B10SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11339146 0.85 RECQL (0.54) HSD17B10SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11829001 0.84 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2NPSR1HDAC1MAPT
SCHEMBL11431004 0.84 HDAC1 (0.53) HSD17B10SMN1; SMN2NPSR1HDAC1MAPT
SCHEMBL11426177 0.84 HPSE (0.42) HSD17B10HDAC1MAPTMEN1KMT2A
SCHEMBL11436291 0.82 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPSR1HDAC1MAPT
SCHEMBL11442222 0.82 RAB9A (0.59) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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