SCHEMBL5594285

SCHEMBL5594285

Cc1cc2c(cc1[N+](=O)[O-])c(C=Cc1cnccn1)nn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ATR Q13535 1/20 0.32
RET P07949 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5594114 0.86 CYP4F2 (0.39) CYP4F2CYP4A11ATRRETALDH1A1
SCHEMBL1026965 0.78 KMT2A (0.34) CYP4F2CYP4A11ATRRETALDH1A1
SCHEMBL5593621 0.77 AURKB (0.34) CYP4F2CYP4A11ATRALDH1A1CYP1A2
SCHEMBL2565958 0.76 KMT2A (0.36) CYP4F2CYP4A11ATRRETALDH1A1
SCHEMBL5593656 0.76 KMT2A (0.36) CYP4F2CYP4A11ATRRETALDH1A1
SCHEMBL5211624 0.75 CYP1A2 (0.34) CYP4F2CYP4A11ATRRETALDH1A1
SCHEMBL12282097 0.75 KMT2A (0.35) CYP4F2CYP4A11ALDH1A1CYP1A2MAPT
SCHEMBL1026520 0.74 GAA (0.38) CYP4F2CYP4A11ATRRETALDH1A1
SCHEMBL4065872 0.73 ALDH1A1 (0.43) RETALDH1A1CYP1A2MAPT
SCHEMBL30295592 0.73 ALDH1A1 (0.43) RETALDH1A1CYP1A2MAPT

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
WO-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO disclosed