SCHEMBL24124247

SCHEMBL24124247

CN(Cc1ccc(NC(=O)c2ccc(N=N)c(S)c2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50
▸ LMNA P02545 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ NR1H4 Q96RI1 2/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL24124183 0.85 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL25924692 0.79 HDAC1 (0.66) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL25921604 0.74 BAZ1A (0.54) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL24124938 0.72 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL24124178 0.72 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2NR1H4
SCHEMBL24124308 0.71 TRPV1 (0.49) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL24124184 0.71 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL25933321 0.71 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL24125182 0.69 ALDH1A1 (0.55) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL24125319 0.69 RAB9A (0.60) HDAC1HDAC3HDAC2NCOR2LMNA

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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