SCHEMBL17860365

SCHEMBL17860365

CN1C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 3/20 0.63
▸ PLCG1 P19174 4/20 0.58
▸ PLCB3 Q01970 4/20 0.58
▸ CASP6 P55212 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PTPRC P08575 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CTSS P25774 1/20 0.36

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
SCHEMBL17860317 0.93 PAX8 (0.64) PAX8PLCG1PLCB3CASP6ALDH1A1
SCHEMBL17860360 0.91 PAX8 (0.67) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860371 0.90 PAX8 (0.67) PAX8PLCG1PLCB3CASP6
SCHEMBL17860358 0.90 PAX8 (0.65) PAX8PLCG1PLCB3CASP6ALDH1A1
SCHEMBL17860454 0.90 PAX8 (0.61) PAX8PLCG1PLCB3CASP6ALDH1A1
SCHEMBL17860462 0.89 PAX8 (0.71) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860363 0.88 PAX8 (0.68) PAX8PLCG1PLCB3CASP6ALDH1A1
SCHEMBL16980367 0.87 PAX8 (0.65) PAX8PLCG1PLCB3CASP6TP53
SCHEMBL16984262 0.87 PAX8 (0.65) PAX8PLCG1PLCB3CASP6TP53
SCHEMBL17860468 0.87 PAX8 (0.65) PAX8PLCG1PLCB3CASP6TP53

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-2016100711-A1 MODULATORS OF HEPATIC LIPOPROTEIN METABOLISM THE BROAD INSTITUTE, INC. (US) 2016-06-23 — — WO disclosed
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