SCHEMBL2785877

SCHEMBL2785877

CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C=C3SC(=O)N(C(C)C4CCCCC4)C3=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 7/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 8/20 0.43
POLB P06746 2/20 0.41
AURKA O14965 1/20 0.41
MTOR P42345 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 3/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.39

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
SCHEMBL2785880 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2785875 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2174333 0.91 KMT2A (0.46) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2172048 0.89 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2786293 0.89 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2786112 0.88 AURKA (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2172237 0.88 AURKA (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1672882 0.88 BCL2 (0.45) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL1614322 0.87 MAPT (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1670279 0.86 AURKA (0.50) MEN1KMT2AALDH1A1LMNAHPGD

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