SCHEMBL4495095

SCHEMBL4495095

CN1CCN(C(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3Cl)n2)CC1.Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)N2CCN(C)CC2)cs1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.66
HSD17B1 P14061 2/20 0.66
HSD17B2 P37059 2/20 0.66
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
F2 P00734 3/20 0.46
F10 P00742 3/20 0.46
CTPS1 P17812 6/20 0.41
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3621166 0.93 HSD11B1 (0.70) HSD11B1HSD17B1HSD17B2KMT2APOLB
SCHEMBL3622396 0.93 HSD11B1 (0.73) HSD11B1HSD17B1HSD17B2KMT2APOLB
SCHEMBL3613128 0.85 HSD11B1 (0.72) HSD11B1HSD17B1HSD17B2KMT2APOLB
SCHEMBL3616711 0.85 HSD11B1 (0.70) HSD11B1HSD17B1HSD17B2KMT2APOLB
SCHEMBL3615029 0.84 HSD11B1 (0.88) HSD11B1HSD17B1HSD17B2KMT2APOLB
SCHEMBL3617614 0.82 HSD11B1 (0.78) HSD11B1HSD17B1HSD17B2KMT2APOLB
SCHEMBL368251 0.80 HSD11B1 (1.00) HSD11B1HSD17B1HSD17B2KMT2APOLB
SCHEMBL3622882 0.79 HSD11B1 (0.82) HSD11B1HSD17B1HSD17B2KMT2APOLB
SCHEMBL3611959 0.79 HSD11B1 (0.81) HSD11B1HSD17B1HSD17B2KMT2APOLB
Hydrochloric Acid SCHEMBL5692696 0.79 HSD11B1 (1.00) HSD11B1HSD17B1HSD17B2KMT2APOLB

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-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US claimed