SCHEMBL27622706

SCHEMBL27622706

C=CC(c1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)Nc1nnc(CC(=O)N(CC)CC)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ MEN1 O00255 6/20 0.35
▸ POLB P06746 4/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ AKT1 P31749 2/20 0.34
▸ IRS1 P35568 2/20 0.34
▸ GAB1 Q13480 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL27622999 0.91 KMT2A (0.36) KMT2AMEN1POLBKLKB1CTSB
SCHEMBL27622676 0.89 ALDH1A1 (0.37) KMT2AMEN1POLBKLKB1CTSB
SCHEMBL28755208 0.83 HSD11B1 (0.38) KMT2AHSD11B1HSD17B1HSD17B2MEN1
SCHEMBL27564639 0.83 HSD11B1 (0.55) KMT2AHSD11B1HSD17B1HSD17B2MEN1
SCHEMBL5831426 0.81 KMT2A (0.45) KMT2AHSD11B1HSD17B1HSD17B2MEN1
SCHEMBL5831400 0.77 KMT2A (0.42) KMT2AHSD11B1HSD17B1HSD17B2MEN1
SCHEMBL27538737 0.74 KMT2A (0.46) KMT2AHSD11B1HSD17B1HSD17B2MEN1
SCHEMBL27622959 0.74 NPC1 (0.35) KMT2AHSD11B1HSD17B1HSD17B2MEN1
SCHEMBL28755292 0.72 NPC1 (0.36) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL27534026 0.72 CTPS1 (0.47) KMT2AHSD11B1HSD17B1HSD17B2MEN1

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
CN-1649855-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2005-08-03 — — CN claimed
CN-1649855-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2005-08-03 — — CN disclosed
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