SCHEMBL14214866

SCHEMBL14214866

CC(C)(C(=O)Nc1nc2c(Cl)cccc2s1)C(c1ccccc1)C1C=CC=CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 3/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ SENP7 Q9BQF6 2/20 0.43
▸ CASR P41180 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ POLA1 P09884 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2895550 0.80 ACP1 (0.60) ACP1KMT2ASENP7CASRGAA
SCHEMBL27004443 0.69 KMT2A (0.60) ACP1KMT2ASENP7GAAMAPK1
SCHEMBL2901060 0.69 ACP1 (0.61) ACP1KMT2AMAPK1TSHRNPSR1
SCHEMBL30754208 0.67 DYRK1A (0.71) ACP1KMT2ASENP7GAAMAPK1
SCHEMBL2899015 0.66 ACP1 (0.63) ACP1KMT2ACASRGAAMAPK1
SCHEMBL18289894 0.66 ACP1 (1.00) ACP1KMT2ASENP7GAAMAPK1
SCHEMBL15756371 0.64 MAPK1 (0.62) ACP1KMT2ASENP7GAAMAPK1
SCHEMBL2898880 0.64 NR3C1 (0.53) ACP1
SCHEMBL24071457 0.64 KMT2A (0.55) ACP1KMT2ASENP7GAAMAPK1
SCHEMBL2901429 0.64 CSNK1D (0.66) ACP1KMT2AGAAMEN1ALDH1A1

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-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — WO disclosed
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