SCHEMBL14038873

SCHEMBL14038873

Cc1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PARP1 P09874 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
MAT2A P31153 3/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GFER P55789 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL14038865 0.85 PARP1 (0.38) L3MBTL1ALDH1A1HPGDGLANPSR1
SCHEMBL4708933 0.85 KDM4E (0.43) L3MBTL1ALDH1A1HPGDGLANPSR1
SCHEMBL4709065 0.84 PLAT (0.44) L3MBTL1ALDH1A1HPGDGLANPSR1
SCHEMBL14257687 0.80 HPGD (0.41) L3MBTL1ALDH1A1HPGDGLANPSR1
SCHEMBL14013820 0.78 RAB9A (0.41) ALDH1A1HPGDPARP1NPC1RAB9A
SCHEMBL4707644 0.77 ALDH1A1 (0.44) L3MBTL1ALDH1A1HPGDGLANPSR1
SCHEMBL4708363 0.75 ALDH1A1 (0.37) L3MBTL1ALDH1A1HPGDGLANPSR1
SCHEMBL14015123 0.75 HPGD (0.37) L3MBTL1ALDH1A1HPGDGLANPSR1
SCHEMBL14015115 0.73 ALDH1A1 (0.38) ALDH1A1HPGDCNR2
SCHEMBL14015116 0.71 ALDH1A1 (0.35) ALDH1A1HPGDNPC1RAB9AMEN1

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
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed