SCHEMBL31752670

SCHEMBL31752670

COC(=O)c1ccnc(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GRM5 P41594 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RECQL P46063 1/20 0.45

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
SCHEMBL17113076 0.80 MEN1 (0.51) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL17544560 0.80 KMT2A (0.51) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4411556 0.79 KMT2A (0.59) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1164954 0.77 KMT2A (0.70) MAPK1HSD17B10MEN1KMT2ARXFP1
SCHEMBL31753576 0.77 KMT2A (0.70) MAPK1HSD17B10MEN1KMT2ARXFP1
SCHEMBL1287113 0.77 NPC1 (0.45) MEN1KMT2AHPGDL3MBTL1SMN1; SMN2
SCHEMBL4413578 0.76 KMT2A (0.64) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL14597968 0.75 HDAC1 (0.67) MAPK1HSD17B10MEN1KMT2ARXFP1
SCHEMBL9736097 0.75 KDM4C (0.54) HSD17B10ALDH1A1MEN1KMT2AHPGD
SCHEMBL7654082 0.74 MEN1 (0.56) MAPK1HSD17B10MEN1KMT2ARXFP1

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
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