SCHEMBL3225882

SCHEMBL3225882

CC1(C)OB(c2ccc3[nH]cnc(=O)c3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
EGFR P00533 2/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
LPL P06858 9/20 0.36
LIPG Q9Y5X9 9/20 0.36
CSF1R P07333 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL3263058 0.89 PRMT5 (0.40) PRMT5WDR77IDO1TDO2EGFR
SCHEMBL2379179 0.80 LPL (0.40) EGFRLPLLIPGCA1CA2
SCHEMBL8212169 0.78 PARP1 (0.54) EGFRCA9CA12
SCHEMBL29525463 0.77 MMP12 (0.45) EGFRLPLLIPG
SCHEMBL874992 0.77 MMP12 (0.45) EGFRLPLLIPG
SCHEMBL3261065 0.76 EGFR (0.34) PRMT5WDR77IDO1TDO2EGFR
SCHEMBL393560 0.75 PARP1 (0.54) PRMT5WDR77LPLLIPGCA9
SCHEMBL30016751 0.75 PARP1 (0.54) PRMT5WDR77LPLLIPGCA9
SCHEMBL16431925 0.74 EGFR (0.40) EGFRCSF1R
SCHEMBL20715158 0.74 LPL (0.46) PRMT5WDR77EGFRLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed