SCHEMBL28756901

SCHEMBL28756901

CCN(CC)C(=O)OCCc1csc(NS(=O)(=O)c2cccc(Cl)c2CN)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.56
▸ HSD17B1 P14061 2/20 0.56
▸ HSD17B2 P37059 2/20 0.56
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ PKM P14618 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CTPS1 P17812 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36

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
SCHEMBL3618080 0.89 HSD11B1 (0.72) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL7166097 0.87 HSD11B1 (0.57) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL27650018 0.81 HSD11B1 (0.43) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL27629846 0.81 KMT2A (0.67) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL27630180 0.80 HSD11B1 (0.65) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL27629969 0.80 HSD11B1 (0.56) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL27650021 0.79 HSD11B1 (0.63) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL20899779 0.79 HSD11B1 (0.74) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL28756850 0.79 HSD11B1 (0.56) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL27650025 0.79 HSD11B1 (0.56) HSD11B1HSD17B1HSD17B2KMT2AMEN1

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-1812784-A New use i BIOVITRUM AB (SE) 2006-08-02 — — CN claimed
CN-1812784-A New use i BIOVITRUM AB (SE) 2006-08-02 — — CN disclosed
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