SCHEMBL17860317

SCHEMBL17860317

Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 5/20 0.64
▸ PLCG1 P19174 4/20 0.59
▸ PLCB3 Q01970 4/20 0.59
▸ CASP6 P55212 1/20 0.59
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMO Q99835 3/20 0.35
▸ APOB P04114 3/20 0.35
▸ MTTP P55157 3/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL17860365 0.93 PAX8 (0.63) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860360 0.93 PAX8 (0.67) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860358 0.91 PAX8 (0.65) PAX8PLCG1PLCB3CASP6KMT2A
SCHEMBL17860454 0.91 PAX8 (0.61) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860363 0.91 PAX8 (0.68) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860297 0.89 PAX8 (0.72) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860453 0.88 PAX8 (0.73) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860371 0.88 PAX8 (0.67) PAX8PLCG1PLCB3CASP6
SCHEMBL17860516 0.88 PAX8 (0.65) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL16980371 0.88 PAX8 (0.62) PAX8PLCG1PLCB3CASP6KDM4E

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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