SCHEMBL17860360

SCHEMBL17860360

CN1C(=O)c2cc(NC(=O)c3ccccc3Cl)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 3/20 0.67
CASP6 P55212 1/20 0.59
PLCG1 P19174 4/20 0.58
PLCB3 Q01970 4/20 0.58
ROCK2 O75116 1/20 0.39
MALT1 Q9UDY8 3/20 0.37
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.35
APOB P04114 1/20 0.35
MTTP P55157 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
SCHEMBL17860317 0.93 PAX8 (0.64) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL17860365 0.91 PAX8 (0.63) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL17860358 0.91 PAX8 (0.65) PAX8CASP6PLCG1PLCB3MALT1
SCHEMBL17860453 0.90 PAX8 (0.73) PAX8CASP6PLCG1PLCB3MALT1
SCHEMBL17860454 0.90 PAX8 (0.61) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL17860449 0.89 PAX8 (0.84) PAX8CASP6PLCG1PLCB3ROCK2
SCHEMBL17860516 0.89 PAX8 (0.65) PAX8CASP6PLCG1PLCB3PKM
SCHEMBL17860363 0.88 PAX8 (0.68) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL17860371 0.87 PAX8 (0.67) PAX8CASP6PLCG1PLCB3ROCK2
SCHEMBL16980371 0.87 PAX8 (0.62) PAX8CASP6PLCG1PLCB3MALT1

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