SCHEMBL21844860

SCHEMBL21844860

Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CCO)C3CC3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ LMNA P02545 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ POLB P06746 2/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ SLC34A2 O95436 2/20 0.45

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
SCHEMBL20083990 0.90 LMNA (0.49) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL15276906 0.90 SIRT2 (0.52) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL15276910 0.87 HTR2B (0.56) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL15276907 0.85 SLC6A9 (0.46) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL15276904 0.84 MAPT (0.52) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL15276909 0.83 RAB9A (0.50) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL15276908 0.83 ALDH1A1 (0.44) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL21844908 0.76 KDM1A (0.48) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL30926944 0.75 SIRT2 (0.80) SMN1; SMN2LMNAMEN1KMT2ASIRT2
SCHEMBL27179454 0.75 SIRT2 (0.80) SMN1; SMN2LMNAMEN1KMT2ASIRT2

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
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
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