SCHEMBL7763476

SCHEMBL7763476

CCCCOC(=O)c1ccc(NC(=O)c2c(O)c(Cl)cc(Cl)c2O)cc1.CCc1ccc(NC(=O)c2c(O)c(Cl)cc(Cl)c2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ HPGD P15428 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ESR1 P03372 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 7/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ HTT P42858 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GAA P10253 2/20 0.50
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL7114636 0.96 SMN1; SMN2 (0.69) SMN1; SMN2MEN1KMT2AHPGDRECQL
SCHEMBL7119485 0.85 LMNA (0.54) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A
SCHEMBL7119082 0.84 RAB9A (0.59) SMN1; SMN2MEN1KMT2AHPGDKDM4E
SCHEMBL7761958 0.81 MEN1 (0.56) SMN1; SMN2MEN1KMT2AHPGDKDM4E
SCHEMBL7120573 0.80 TP53 (0.55) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL7113128 0.78 TAS1R3 (0.64) SMN1; SMN2MEN1KMT2AHPGDKDM4E
SCHEMBL10943491 0.78 HPGD (0.78) SMN1; SMN2MEN1KMT2AHPGDRECQL
SCHEMBL12173052 0.77 KMT2A (0.67) SMN1; SMN2MEN1KMT2AHPGDRECQL
SCHEMBL10988558 0.77 ESR1 (0.74) SMN1; SMN2HPGDRECQLESR1ALDH1A1
SCHEMBL7762753 0.76 TRPV1 (0.62) SMN1; SMN2MEN1KMT2AHPGDKDM4E

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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