SCHEMBL31751933

SCHEMBL31751933

O=C(O)c1cc(Br)cc(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MEN1 O00255 3/20 0.59
HPGD P15428 2/20 0.59
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
ENPP2 Q13822 1/20 0.51
CASP3 P42574 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
GSK3B P49841 1/20 0.48
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL29401676 0.85 CASP3 (0.56) KMT2AMEN1HPGDHDAC1HDAC7
SCHEMBL4338734 0.85 CASP3 (0.56) KMT2AMEN1HPGDHDAC1HDAC7
SCHEMBL31751790 0.83 KMT2A (0.68) KMT2AMEN1HPGDHDAC1HDAC7
SCHEMBL31752451 0.83 KMT2A (0.68) KMT2AMEN1HPGDHDAC1HDAC7
SCHEMBL31753012 0.83 KMT2A (0.68) KMT2AMEN1HPGDHDAC1HDAC7
SCHEMBL31752008 0.83 KMT2A (0.68) KMT2AMEN1HPGDHDAC1HDAC7
SCHEMBL31751936 0.81 KMT2A (1.00) KMT2AMEN1HPGDENPP2CASP3
SCHEMBL1200846 0.81 KMT2A (1.00) KMT2AMEN1HPGDENPP2CASP3
SCHEMBL31752966 0.80 KMT2A (0.63) KMT2AMEN1HPGDENPP2CASP3
SCHEMBL31752533 0.80 KMT2A (0.63) KMT2AMEN1HPGDHDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025260150-A1 NOVEL N-BENZYL PHTHALIMIDES FOR THE TREATMENT OF PAIN. METHODS OF PREPARATION AND THERAPEUTIC USE MICROBIOLÓGICA QUÍMICA E FARMACÊUTICA LTDA. (BR) 2025-12-26 WO disclosed
WO-2025260159-A1 ISOINDOLINE AND INDOLINE DERIVATIVE COMPOUNDS, COMBINATIONS, PHARMACEUTICAL COMPOSITIONS, MEDICAMENTS, USE OF THE COMPOUNDS AND METHOD OF TREATMENT OF PAIN MICROBIOLÓGICA QUÍMICA E FARMACÊUTICA LTDA. (BR) 2025-12-26 WO disclosed