SCHEMBL21775388

SCHEMBL21775388

O=C(N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)n1cncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.55
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ THRB P10828 2/20 0.45
▸ F10 P00742 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 3/20 0.43
▸ TBXA2R P21731 3/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL14834137 0.80 MGLL (0.65) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL30700144 0.74 MGLL (0.49) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL15051134 0.73 STS (0.69) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL25323646 0.71 MGLL (0.49) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL14834237 0.71 MGLL (1.00) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9833885 0.70 GBA1 (0.55) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27153310 0.70 MGLL (0.51) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27900130 0.70 TBXA2R (0.53) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27900240 0.69 MGLL (0.50) MGLLMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27917924 0.68 ALDH1A1 (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1PKM

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-20200069618-A1 COMPOSITIONS HAVING AN AGENT AND AN ENHANCER THEREOF, METHODS OF USE, AND DELIVERY SYSTEMS SCD HEALTH, LLC 2020-03-05 — — US disclosed
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