SCHEMBL10907484

SCHEMBL10907484

Cc1cc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(O)ccc3c2)ccc1NC(=O)C(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(O)ccc3c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.45
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PTGES O14684 1/20 0.41
▸ DHODH Q02127 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ HPSE Q9Y251 2/20 0.38
▸ DEGS1 O15121 1/20 0.38
▸ TIMP3 P35625 3/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENTPD3 O75355 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PRKD3 O94806 1/20 0.38

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
SCHEMBL11337453 0.94 ENPP2 (0.45) ENPP2MAPTMEN1KMT2ARAB9A
SCHEMBL10909132 0.87 ENPP2 (0.50) ENPP2MAPTMEN1KMT2ARAB9A
SCHEMBL11433813 0.86 ENPP2 (0.46) ENPP2MAPTMEN1KMT2ARAB9A
SCHEMBL10909117 0.85 MEN1 (0.46) ENPP2MAPTMEN1KMT2ARAB9A
SCHEMBL10909144 0.84 ENPP2 (0.56) ENPP2KMT2ADEGS1TIMP3NQO2
SCHEMBL11435436 0.83 ENPP2 (0.46) ENPP2MAPTMEN1KMT2ARAB9A
SCHEMBL10907894 0.83 ENPP2 (0.45) ENPP2MAPTMEN1KMT2ARAB9A
SCHEMBL10908181 0.83 CASP6 (0.48) ENPP2MAPTMEN1KMT2ATDP1
SCHEMBL10907610 0.82 MEN1 (0.47) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL10909738 0.82 MEN1 (0.47) MAPTMEN1KMT2ARAB9ATDP1

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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