SCHEMBL2786293

SCHEMBL2786293

Cc1ccc(S(=O)(=O)Nc2ccc(/C=C3\SC(=O)N(C(C)C4CCCCC4)C3=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KMT2A Q03164 6/20 0.45
▸ POLB P06746 3/20 0.45
▸ AURKA O14965 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ RECQL P46063 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41

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
SCHEMBL2172048 1.00 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL2786112 0.92 AURKA (0.43) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL2172237 0.92 AURKA (0.43) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL1672882 0.91 BCL2 (0.45) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL1614322 0.90 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL2785880 0.89 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL2785875 0.89 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL2785877 0.89 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL1614599 0.89 AURKA (0.50) ALDH1A1MAPTLMNAKMT2AAURKA
SCHEMBL2174333 0.89 KMT2A (0.46) ALDH1A1MAPTSMN1; SMN2KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 — — EP claimed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 — — WO claimed
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