SCHEMBL24340403

SCHEMBL24340403

NC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.69
MEN1 O00255 9/20 0.69
MAPT P10636 7/20 0.69
ALDH1A1 P00352 4/20 0.69
HTT P42858 3/20 0.69
CSNK2A1 P68400 4/20 0.69
VCP P55072 1/20 0.68
RAB9A P51151 2/20 0.67
GAA P10253 1/20 0.67
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67

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
SCHEMBL10919656 0.91 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL10922701 0.90 KMT2A (0.72) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL10808167 0.90 BAZ1A (0.79) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3593035 0.89 CSNK2A1 (0.67) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL8684018 0.89 CSNK2A1 (0.67) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL10962764 0.89 KMT2A (0.74) KMT2AMEN1MAPTALDH1A1HTT
Bromide SCHEMBL7146574 0.88 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL15689083 0.88 RAB9A (0.73) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL21586297 0.85 KMT2A (0.75) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL15688998 0.85 MEN1 (0.87) KMT2AMEN1MAPTALDH1A1HTT

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-3325452-B1 SUBSTITUTED HYDROPHOBIC BENZENE SULFONAMIDE THIAZOLE COMPOUNDS FOR USE IN TREATING CANCER INST NAT SANTE RECH MED (FR) 2022-03-30 EP disclosed