SCHEMBL11240588

SCHEMBL11240588

CCOC(=O)Cc1c(C)nn(-c2ccccc2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL11247972 0.87 PTGDR2 (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1997120 0.83 ALDH1A1 (0.53) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL11248894 0.81 ALDH1A1 (0.54) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL4158179 0.79 MEN1 (0.50) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL11240990 0.75 PTGDR2 (0.51) TSHRSMN1; SMN2
SCHEMBL6123566 0.74 ALDH1A1 (0.61) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL11243796 0.74 PDE4D (0.63) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL2678658 0.72 CNR1 (0.54)
SCHEMBL1195159 0.71 CYP2C9 (0.62) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP3A4
SCHEMBL2390130 0.70 CYP4F2 (0.51) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed