SCHEMBL12024182

SCHEMBL12024182

CC1CN(C(=O)Cc2ccccc2)c2ccc(C(C)(C)O)cc2S1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.48
▸ MAPT P10636 6/20 0.44
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ LMNA P02545 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
SCHEMBL3624471 0.89 EP300 (0.47) EP300MAPTTP53THRBSMN1; SMN2
SCHEMBL3625401 0.78 RORC (0.46) MAPTTHRBRORCLMNA
SCHEMBL3625398 0.78 RORC (0.46) MAPTTHRBRORCLMNA
SCHEMBL3624234 0.77 RORC (0.47) RORC
SCHEMBL12024511 0.72 KMT2A (0.52) MAPTSMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL3627243 0.71 FAAH (0.43) MAPTTHRBRORCLMNA
SCHEMBL3627248 0.71 FAAH (0.43) MAPTTHRBRORCLMNA
SCHEMBL3619476 0.68 RORC (0.57) ALDH1A1RORC
SCHEMBL3623629 0.68 RORC (0.43) MAPTTHRBRORCLMNA
SCHEMBL3623625 0.68 RORC (0.43) MAPTTHRBRORCLMNA

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
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 — — EP disclosed
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