SCHEMBL31753403

SCHEMBL31753403

O=C(O)Cc1cccc(CN2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
AKR1B1 P15121 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.44
CASP3 P42574 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
CYP1B1 Q16678 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
SCHEMBL8377843 0.87 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL930355 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL31751437 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL1698808 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL31752551 0.81 POLB (0.53) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL29575442 0.80 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL14905034 0.80 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL378947 0.80 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL2932303 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL4495296 0.78 AKR1B1 (0.48) MAPTNPSR1KDM4EAKR1B1ALOX15

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-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