SCHEMBL25544494

SCHEMBL25544494

CCn1c(=O)[nH]c2cc(C(=O)OC)ncc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 9/20 0.47
▸ KDM4E B2RXH2 9/20 0.47
▸ GAA P10253 7/20 0.47
▸ HPGD P15428 6/20 0.47
▸ HSD17B10 Q99714 6/20 0.47
▸ GLA P06280 4/20 0.47
▸ PKM P14618 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ GABRP O00591 3/20 0.44
▸ GABRD O14764 3/20 0.44
▸ GABRA1 P14867 3/20 0.44
▸ GABRB1 P18505 3/20 0.44
▸ GABRG2 P18507 3/20 0.44
▸ GABRB3 P28472 3/20 0.44
▸ GABRA5 P31644 3/20 0.44
▸ GABRA3 P34903 3/20 0.44

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
SCHEMBL6306378 0.77 KMT2A (0.77) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL30414309 0.77 KMT2A (0.77) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL25544495 0.76 CYP1A2 (0.49) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL25544465 0.76 CYP1A2 (0.51) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL30858289 0.75 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL27202744 0.75 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL25543387 0.75 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL17434377 0.74 PTGER4 (0.41) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL27202957 0.70 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL28843897 0.69 GABRA1 (0.80) ALDH1A1KDM4EHPGDHSD17B10PKM

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-2023096915-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-06-01 — — WO disclosed
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