SCHEMBL24124178

SCHEMBL24124178

CN(Cc1cccc(NC(=O)c2ccc(S)c(N)c2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ KCNK3 O14649 1/20 0.46
▸ PTGES O14684 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SLC1A2 P43004 3/20 0.43
▸ SLC1A1 P43005 3/20 0.43
▸ NR1H4 Q96RI1 3/20 0.42
▸ SLC1A3 P43003 2/20 0.42
▸ HPSE Q9Y251 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41

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
SCHEMBL24124183 0.81 HDAC1 (0.63) HDAC3HDAC1HDAC2NCOR2LOXL2
SCHEMBL24124189 0.81 HDAC8 (0.54) HDAC3HDAC1HDAC2NCOR2KCNK3
SCHEMBL24124923 0.81 KMT2A (0.51) KCNK3KMT2AMEN1NR1H4HPSE
SCHEMBL24124185 0.78 HDAC1 (0.53) HDAC3HDAC1HDAC2NCOR2KCNK3
SCHEMBL24124174 0.77 KCNK3 (0.45) HDAC3HDAC1HDAC2NCOR2KCNK3
SCHEMBL24124180 0.76 NR1H4 (0.68) KMT2AMEN1NR1H4POLB
SCHEMBL25920614 0.76 MAPT (0.62) KMT2AMEN1POLB
SCHEMBL24124886 0.75 LOXL2 (0.44) HDAC3HDAC1HDAC2NCOR2LOXL2
SCHEMBL24124182 0.75 KCNK3 (0.40) KCNK3KMT2AMEN1NR1H4POLB
SCHEMBL25920821 0.75 TRPV1 (0.47) HDAC3HDAC1HDAC2NCOR2LOXL2

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
WO-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 — — WO disclosed
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