SCHEMBL10431854

SCHEMBL10431854

COC(=O)c1ccc2c(c1)n(O)c(=O)c(=O)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ CASP3 P42574 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ BRPF1 P55201 1/20 0.43

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
SCHEMBL7539164 0.81 SMN1; SMN2 (0.65) MAPTCASP3CA12CA1CA2
SCHEMBL31177679 0.75 GABRA5 (0.56) MAPTPOLBCASP3CA12CA1
SCHEMBL12992243 0.75 TDP1 (0.46) MAPTPOLBCASP3CA12CA1
SCHEMBL30204402 0.74 BRPF1 (0.53) MAPTCASP3CA12CA1CA2
SCHEMBL9497513 0.74 LCK (0.48) MAPTPOLBCASP3CA12CA1
SCHEMBL10744197 0.73 KDM4E (0.41) MAPTPOLBCASP3CA12CA1
SCHEMBL18995951 0.72 KDM4E (0.51) MAPTPOLBCASP3TDP1SMN1; SMN2
SCHEMBL553819 0.72 MEN1 (0.54) MAPTCA12CA1CA2CA7
SCHEMBL19231292 0.72 KDM4E (0.48) MAPTPOLBCASP3CA12CA1
SCHEMBL31471535 0.71 L3MBTL1 (0.50) MAPTCASP3CA12CA1CA2

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
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 — — EP disclosed
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