SCHEMBL7761958

SCHEMBL7761958

CCOC(=O)c1ccc(NC(=O)c2c(O)c(Cl)cc(Cl)c2O)cc1.O=C(Nc1ccc(Cl)cc1)c1c(O)c(Cl)cc(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ GAA P10253 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ TRPV1 Q8NER1 1/20 0.55
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HTT P42858 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ BRCA1 P38398 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL7119082 0.96 RAB9A (0.59) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL7114636 0.84 SMN1; SMN2 (0.69) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL6707294 0.84 RAB9A (0.76) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL7124123 0.83 ALDH1A1 (0.64) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL7113128 0.83 TAS1R3 (0.64) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL7118768 0.83 RAB9A (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7116292 0.83 P2RX1 (0.56) MEN1KMT2ASMN1; SMN2NPC1HTT
SCHEMBL7120049 0.81 MAPT (0.60) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL7763476 0.81 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL4111911 0.80 TRPV1 (0.75) MEN1KMT2ASMN1; SMN2NPC1GAA

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
WO-2001082924-A1 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-08 — — WO disclosed
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