SCHEMBL10489398

SCHEMBL10489398

O=C1C=CC(=O)N1Nc1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ METAP2 P50579 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ BRAF P15056 2/20 0.34
▸ PARP15 Q460N3 7/20 0.33
▸ PARP10 Q53GL7 7/20 0.33
▸ DAO P14920 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL3277310 0.72 HSD17B10 (0.46) HSD17B10KDM4EMETAP2BRAFPARP15
SCHEMBL7070839 0.72 KDM4E (0.50) HSD17B10KDM4EMETAP2BRAFPARP15
SCHEMBL8691865 0.69 KDM4E (0.43) HSD17B10KDM4EMETAP2BRAFPARP15
SCHEMBL7072330 0.68 BRAF (0.58) HSD17B10KDM4EBRAFAURKAMAPK14
SCHEMBL438637 0.68 AR (0.47) HSD17B10KDM4EBRAFPARP15PARP10
SCHEMBL3069941 0.66 PIK3CD (0.47) HSD17B10KDM4EGAAPARP15PARP10
SCHEMBL6953743 0.66 PIK3CD (0.40) HSD17B10KDM4EMETAP2BRAFPARP15
SCHEMBL17142230 0.66 KDM4E (0.43) HSD17B10KDM4EMETAP2BRAFPARP15
SCHEMBL2457623 0.65 CHEK1 (0.69) HSD17B10KDM4EMETAP2PARP15PARP10
SCHEMBL87617 0.65 CYP1A2 (0.59) HSD17B10GAAGSK3AGSK3B

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
US-4801726-A HYDRAZIDE SILICAS NORTHEASTERN UNIVERSITY (US) 1989-01-31 — — US disclosed
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