SCHEMBL7562878

SCHEMBL7562878

CC(O[C]=O)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 6/20 0.43
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.42
MAPT P10636 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
PYCR1 P32322 1/20 0.37
CES1 P23141 1/20 0.37
IDO1 P14902 1/20 0.37
HSPB1 P04792 1/20 0.37

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
SCHEMBL7607688 0.75 MAPK1 (0.52) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL6262302 0.75 CA1 (0.45) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL1538287 0.74 HSD17B10 (0.56) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL677959 0.74 HSD17B10 (0.56) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL397351 0.74 HSD17B10 (0.56) HSD17B10ACHEALDH1A1HSD11B1MAPT
SCHEMBL6671840 0.74 HSD17B10 (0.56) HSD17B10ACHEALDH1A1POLBHSD11B1
Methoxymethane SCHEMBL27492761 0.73 ALDH1A1 (0.51) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL28551166 0.72 HSD17B10 (0.54) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL6262303 0.72 CA1 (0.53) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL2163539 0.72 ALDH1A1 (0.50) HSD17B10ACHEALDH1A1POLBHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764152-B1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-07-31 EP claimed
EP-0764152-B1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-07-31 EP disclosed
EP-0853614-B1 SUBSTITUTED TETRALYLMETHYLEN-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-10-04 EP disclosed
US-6147073-A IMPROVED BIOAVAILABILITY PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-14 US disclosed
US-5905149-A CHEMICAL CONDENSATION OF ALDEHYDE WITH INDOLONE COMPOUND PHARMACIA & UPJOHN S.P.A (IT) 1999-05-18 US disclosed
US-5849710-A Substituted indolylmethylene-oxindole analogues as tyrosine kinase inhibitors PHARMACIA & UPJOHN S.P.A. (IT) 1998-12-15 US disclosed
EP-0764152-A1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-03-26 EP disclosed
WO-1996032380-A1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-17 WO disclosed
EP-0457680-B1 Derivatives of 1,2,5,6-tetrahydropyridine-3-carboxaldehyde oxime, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1994-12-07 EP disclosed
EP-0457680-A1 Derivatives of 1,2,5,6-tetrahydropyridine-3-carboxaldehyde oxime, process for their preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1991-11-21 EP disclosed