SCHEMBL17860371

SCHEMBL17860371

CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 5/20 0.67
▸ PLCG1 P19174 4/20 0.63
▸ PLCB3 Q01970 4/20 0.63
▸ CASP6 P55212 1/20 0.57
▸ HTR1F P30939 4/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ HTR1D P28221 2/20 0.41
▸ ROCK2 O75116 1/20 0.37
▸ MAPK14 Q16539 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ HTR1B P28222 1/20 0.35

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
SCHEMBL17860363 0.94 PAX8 (0.68) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL16980367 0.93 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL17860468 0.93 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL16984262 0.93 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL17860462 0.93 PAX8 (0.71) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860453 0.93 PAX8 (0.73) PAX8PLCG1PLCB3CASP6
SCHEMBL16980396 0.92 PAX8 (0.66) PAX8PLCG1PLCB3CASP6HTR1F
SCHEMBL17860394 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860368 0.91 PAX8 (0.64) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860365 0.90 PAX8 (0.63) PAX8PLCG1PLCB3CASP6

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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