SCHEMBL3353614

SCHEMBL3353614

Cn1cc(C=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
IMPDH2 P12268 1/20 0.53
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.48
ERN1 O75460 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.43
CDK2 P24941 1/20 0.42
CYP1A2 P05177 1/20 0.40

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
SCHEMBL379545 0.88 ALDH1A1 (0.59) ALDH1A1IMPDH2KMT2ASMN1; SMN2MEN1
SCHEMBL7834682 0.80 KMT2A (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3352477 0.79 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL23551238 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1631009 0.78 MAPT (0.45) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL31520666 0.78 MAPT (0.45) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL2275824 0.77 ALDH1A1 (0.66) ALDH1A1IMPDH2KMT2ASMN1; SMN2MEN1
SCHEMBL3355435 0.77 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2031700 0.76 MAPT (0.47) ALDH1A1LMNAMAPTL3MBTL1CDK2
SCHEMBL3354480 0.75 HTR7 (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 EP disclosed