SCHEMBL10909653

SCHEMBL10909653

Cc1cc(C(=O)Nc2cc3ccc(S(=O)(=O)O)cc3cc2O)ccc1NC(=O)C(=O)Nc1ccc(C(=O)Nc2cc3ccc(S(=O)(=O)O)cc3cc2O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.45
▸ APEX1 P27695 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ TIMP3 P35625 1/20 0.40
▸ PABPC1 P11940 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ SNCA P37840 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
SCHEMBL11347176 0.93 TIMP3 (0.45) DHODHAPEX1RAB9ANPC1L3MBTL1
SCHEMBL11427857 0.87 CASP6 (0.44) DHODHAPEX1RAB9ANPC1MEN1
SCHEMBL11433915 0.84 CASP6 (0.44) DHODHAPEX1RAB9ANPC1MEN1
SCHEMBL10907696 0.84 CASP6 (0.44) DHODHAPEX1RAB9ANPC1L3MBTL1
SCHEMBL11426456 0.84 MEN1 (0.55) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL10909128 0.84 CASP6 (0.50) APEX1TIMP3CASP6CTDSP1SNCA
SCHEMBL10908181 0.83 CASP6 (0.48) DHODHAPEX1L3MBTL1MEN1KMT2A
SCHEMBL10908640 0.83 L3MBTL1 (0.44) DHODHAPEX1RAB9ANPC1L3MBTL1
SCHEMBL10907535 0.83 CASP6 (0.43) DHODHAPEX1L3MBTL1TAS1R3TAS1R1
SCHEMBL11423192 0.82 SMN1; SMN2 (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 — — US disclosed
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