SCHEMBL5260946

SCHEMBL5260946

CC1CC(C(C)(C)c2ccc([N+](=O)[O-])cc2)=CCN1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.44
ADRA2A P08913 4/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
LMNA P02545 3/20 0.38
RECQL P46063 1/20 0.38
HSD11B1 P28845 4/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL4789681 0.76 PNMT (0.49) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL6224536 0.74 PNMT (0.34) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL6671840 0.72 HSD17B10 (0.56) LMNARECQLHSD11B1ALDH1A1ACHE
SCHEMBL6219164 0.71 PNMT (0.45) PNMTADRA2AADRA2BADRA2CCA1
SCHEMBL4790042 0.66 PNMT (0.48) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL3141693 0.66 SLC6A4 (0.44) LMNAHSD11B1ALDH1A1ACHEHSD17B10
SCHEMBL13176247 0.66 ALDH1A1 (0.58) LMNARECQLHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL28743166 0.65 HSD17B10 (0.52) LMNARECQLHSD11B1ALDH1A1ACHE
SCHEMBL7412479 0.65 PNMT (0.47) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL677959 0.65 HSD17B10 (0.56) LMNARECQLHSD11B1ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed