SCHEMBL8941655

SCHEMBL8941655

Cc1cc(C)c2c(-c3ccccc3Cl)cc(OS(=O)(=O)CC(=O)N(C)Cc3ccccc3Cl)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TSPO P30536 1/20 0.37
▸ PDE2A O00408 2/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL8941652 0.82 KMT2A (0.37) KMT2AMEN1TSPOPDE2APDE10A
SCHEMBL8941625 0.65 ELANE (0.37) KMT2AMEN1PDE2APDE10ATP53
SCHEMBL2880697 0.61 ALDH1A1 (0.56) KMT2AMEN1TACR1HSP90AA1ALDH1A1
SCHEMBL6419274 0.59 MEN1 (0.54) KMT2AMEN1TACR1POLBAOC3
SCHEMBL8941633 0.58 PLA2G7 (0.39) KMT2AMEN1PDE2APDE10APOLB
SCHEMBL23602743 0.58 HSP90AA1 (0.55) KMT2AMEN1TACR1HSP90AA1
SCHEMBL17887845 0.58 MEN1 (0.52) KMT2AMEN1TACR1AOC3HSP90AA1
SCHEMBL18520727 0.56 PDE2A (0.43) KMT2APDE2APDE10APOLBGRM2
SCHEMBL19027274 0.56 MEN1 (0.50) KMT2AMEN1TACR1HSP90AA1ALDH1A1
SCHEMBL31186765 0.55 RAB9A (0.54) KMT2AMEN1TSPOTP53POLB

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
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 — — US disclosed
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