SCHEMBL27718331

SCHEMBL27718331

CCOC(C(=O)O)c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PKM P14618 1/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
ALOX5 P09917 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL27443616 0.88 ALOX5 (0.53) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL27739386 0.88 SMN1; SMN2 (0.53) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL11373929 0.80 RAB9A (0.55) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL10653229 0.78 RAB9A (0.58) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL4786698 0.78 HPGD (0.56) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL3963337 0.76 HPGD (0.60) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL29152499 0.76 HPGD (0.53) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL5536307 0.74 HPGD (0.66) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL8669504 0.74 HPGD (0.48) HPGDCYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7593598 0.73 PKM (0.55) HPGDCYP1A2CYP2C19CYP2C9HIF1A

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
CN-100406013-C Camptothecin derivatives CALIFORNIA PACIFIC MED CENTER (US) 2008-07-30 CN disclosed