SCHEMBL8134204

SCHEMBL8134204

CC(C(=O)O)n1c(=O)[nH]c2ccc(I)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ B3GNT2 Q9NY97 3/20 0.40
▸ FEN1 P39748 2/20 0.39
▸ ERCC1 P07992 1/20 0.39
▸ DNASE1 P24855 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ CA12 O43570 7/20 0.38
▸ CA9 Q16790 7/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ GABRA1 P14867 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35

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
SCHEMBL10085100 0.85 ALDH1A1 (0.47) MEN1KMT2AMAPK1B3GNT2GABRA1
SCHEMBL10085586 0.85 ALDH1A1 (0.47) MEN1KMT2AMAPK1B3GNT2GABRA1
SCHEMBL31160837 0.84 FEN1 (0.57) MEN1KMT2AMAPK1FEN1
SCHEMBL6216031 0.80 B3GNT2 (0.46) KMT2AMAPK1B3GNT2FEN1ERCC1
SCHEMBL25335125 0.80 ALDH1A1 (0.55) MEN1KMT2AMAPK1FEN1ERCC1
SCHEMBL31160877 0.80 ALDH1A1 (0.55) MEN1KMT2AMAPK1FEN1ERCC1
SCHEMBL31160981 0.80 ALDH1A1 (0.55) MEN1KMT2AMAPK1FEN1ERCC1
SCHEMBL6243304 0.75 MAPK1 (0.43) MEN1KMT2AMAPK1B3GNT2ALDH1A1
SCHEMBL5712368 0.73 ADORA3 (0.59) FEN1ERCC1DNASE1ERCC4CA12
SCHEMBL6392350 0.73 GABRG2 (0.46) MAPK1B3GNT2GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733052-B1 BICYCLENE DERIVATIVES, THEIR PRODUCTION AND USE BASF AG (DE) 2000-09-27 — — EP disclosed
EP-0733052-A1 BICYCLENE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1996-09-25 — — EP disclosed
WO-1995015963-A1 BICYCLENE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-06-15 — — WO disclosed
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