SCHEMBL13941747

SCHEMBL13941747

CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.75
▸ KMT2A Q03164 6/20 0.75
▸ PKM P14618 1/20 0.75
▸ NPSR1 Q6W5P4 1/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ NPC1 O15118 1/20 0.69
▸ TP53 P04637 1/20 0.61
▸ PLK1 P53350 2/20 0.58
▸ KCNK2 O95069 1/20 0.58
▸ KCNK10 P57789 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ GRIK1 P39086 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ RIN1 Q13671 1/20 0.57

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
SCHEMBL1307943 0.90 SERPINE1 (0.70) MEN1KMT2APKMNPSR1SMN1; SMN2
SCHEMBL14075266 0.87 PLK1 (0.78) MEN1KMT2APKMNPSR1SMN1; SMN2
SCHEMBL1308442 0.86 KMT2A (1.00) MEN1KMT2APKMNPSR1RAB9A
SCHEMBL1308714 0.84 MEN1 (0.76) MEN1KMT2APKMNPSR1SMN1; SMN2
SCHEMBL14075222 0.81 SERPINE1 (0.67) MEN1KMT2APKMNPSR1SMN1; SMN2
SCHEMBL1310106 0.80 GRIK1 (0.74) MEN1KMT2APKMNPSR1KCNK2
SCHEMBL14075264 0.79 PLK1 (0.69) MEN1KMT2APKMNPSR1SMN1; SMN2
SCHEMBL1309321 0.79 MEN1 (0.70) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL14075268 0.78 PLK1 (0.75) MEN1KMT2APKMNPSR1PLK1
SCHEMBL1307133 0.78 MEN1 (0.68) MEN1KMT2APKMNPSR1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009018084-A1 SMALL MOLECULE INHIBITORS OF RNA SILENCING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-05 — — WO disclosed
US-7429677-B2 Small molecule entry inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-09-30 — — US disclosed
US-7429677-B2 Small molecule entry inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-09-30 — — US disclosed
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