SCHEMBL21183370

SCHEMBL21183370

Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.67
BRD2 P25440 4/20 0.67
BRD3 Q15059 4/20 0.67
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
POLB P06746 1/20 0.51
IDH1 O75874 2/20 0.50
TP53 P04637 1/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL21183365 0.81 TP53 (0.72) BRD4BRD2BRD3KMT2AMEN1
SCHEMBL793716 0.81 LMNA (0.61) BRD4BRD2BRD3MAPTPOLB
SCHEMBL21183368 0.78 BRD4 (0.61) BRD4BRD2BRD3MAPTPOLB
SCHEMBL21183373 0.76 MAPT (0.61) BRD4BRD2BRD3KMT2AMEN1
SCHEMBL22566366 0.74 BRD4 (0.57) BRD4BRD2BRD3KMT2AMEN1
SCHEMBL14363634 0.74 L3MBTL1 (0.77) KMT2AMEN1MAPTPKMTP53
SCHEMBL15647514 0.74 KMT2A (0.75) BRD4BRD2BRD3KMT2AMEN1
SCHEMBL15646419 0.70 MEN1 (0.67) BRD4BRD2BRD3KMT2AMEN1
SCHEMBL14645519 0.70 HDAC4 (1.00) HDAC4HDAC1HDAC6KMT2AMEN1
SCHEMBL12112407 0.68 NPC1 (0.61) KMT2AMEN1MAPTPKMTP53

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-2019142191-A1 NEW METHIONINE METABOLIC PATHWAY INHIBITORS GAVISH-GALILEE BIO APPLICATIONS LTD. (IL) 2019-07-25 WO disclosed