SCHEMBL11429458

SCHEMBL11429458

Cc1cc(C(=O)Nc2c(S(=O)(=O)O)cc3ccccc3c2O)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.41
▸ PTGER4 P35408 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ RRM1 P23921 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ MTOR P42345 2/20 0.35
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 1/20 0.35

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
SCHEMBL11425748 0.91 ADORA3 (0.41) ADORA3PTGER4NPC1RAB9AMAPT
SCHEMBL11432944 0.91 ADORA3 (0.41) ADORA3PTGER4NPC1RAB9AMAPT
SCHEMBL10905526 0.86 DHODH (0.44) ADORA3PTGER4NPC1RAB9AMAPT
SCHEMBL11424721 0.86 DHODH (0.44) ADORA3PTGER4NPC1RAB9AMAPT
SCHEMBL11438820 0.85 CASP6 (0.40) ADORA3MAPTTP53MEN1KMT2A
SCHEMBL11433104 0.85 CASP6 (0.48) ADORA3NPC1RAB9AMAPTMEN1
SCHEMBL11438812 0.83 SENP2 (0.40) ADORA3MAPTTP53MEN1KMT2A
SCHEMBL11424104 0.83 MEN1 (0.52) NPC1RAB9AMAPTTP53MEN1
SCHEMBL11438930 0.83 KDM4E (0.48) ADORA3NPC1RAB9AMAPTMEN1
SCHEMBL11438895 0.82 ADORA3 (0.41) ADORA3PTGER4NPC1RAB9AMAPT

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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