SCHEMBL10908002

SCHEMBL10908002

Cc1cc(C(=O)Nc2cc(O)c(S(=O)(=O)O)c3ccccc23)ccc1NC(=O)C(=O)Nc1ccc(C(=O)Nc2cc(O)c(S(=O)(=O)O)c3ccccc23)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ TERT O14746 1/20 0.40
▸ TOP1 P11387 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL11349148 0.93 DHODH (0.43) DHODHTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL11428049 0.86 MEN1 (0.41) DHODHMAPTMEN1KMT2ARAB9A
SCHEMBL10907766 0.85 ALDH1A1 (0.43) DHODHTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL11440740 0.84 MEN1 (0.41) MAPTMEN1KMT2ARAB9ACYP1A2
SCHEMBL10905198 0.84 DHODH (0.43) DHODHTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL10909707 0.83 CD40 (0.45) MAPTMEN1KMT2ATERTTOP1
SCHEMBL11442387 0.83 MEN1 (0.53) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL10907651 0.81 NPC1 (0.45) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL11426750 0.81 MEN1 (0.60) MAPTMEN1KMT2ARAB9ACYP1A2
SCHEMBL11428577 0.80 HDAC1 (0.51) MAPTMEN1KMT2ARAB9ACYP1A2

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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