SCHEMBL10909117

SCHEMBL10909117

Cc1cc(C(=O)Nc2cc(S(=O)(=O)O)cc3ccc(O)cc23)ccc1NC(=O)C(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3ccc(O)cc23)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ APEX1 P27695 1/20 0.43
▸ HPSE Q9Y251 2/20 0.42
▸ TIMP3 P35625 3/20 0.41
▸ NSD2 O96028 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ENPP3 O14638 1/20 0.41
▸ ENTPD3 O75355 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ CBX7 O95931 1/20 0.41

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
SCHEMBL11339174 0.94 HPSE (0.46) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL10905168 0.91 MEN1 (0.46) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL11426058 0.87 CASP6 (0.43) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL11426646 0.85 CASP6 (0.43) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL11354660 0.85 MEN1 (0.46) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL10907484 0.85 ENPP2 (0.45) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL10905209 0.84 ENPP2 (0.51) APEX1TIMP3NSD2TRPV1PRMT1
SCHEMBL10907696 0.83 CASP6 (0.44) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL11422993 0.83 POLB (0.50) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL10905493 0.83 NT5E (0.59) MEN1KMT2ATDP1MAPTRAB9A

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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