SCHEMBL11540740

SCHEMBL11540740

c1ccc2c(c1)ccc1cncn12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.47
GABRA5 P31644 2/20 0.40
LCK P06239 10/20 0.39
IDO1 P14902 3/20 0.38
TBXAS1 P24557 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1599024 1.00 CYP11B2 (0.47) CYP11B2GABRA5LCKIDO1TBXAS1
SCHEMBL29505892 1.00 CYP11B2 (0.47) CYP11B2GABRA5LCKIDO1TBXAS1
SCHEMBL29566780 0.93 CYP11B2 (0.43) CYP11B2GABRA5LCKIDO1TBXAS1
SCHEMBL28908126 0.93 CYP11B2 (0.43) CYP11B2GABRA5LCKIDO1TBXAS1
SCHEMBL29895259 0.72 CYP11B2 (0.41) CYP11B2GABRA5LCKIDO1TBXAS1
SCHEMBL29742732 0.71 KDM4E (0.59) LCKKDM4EALDH1A1GLAGAA
SCHEMBL970053 0.71 KDM4E (0.59) LCKKDM4EALDH1A1GLAGAA
SCHEMBL5509760 0.71 SLC6A2 (0.39) CYP11B2LCKHPGDHSD17B10
SCHEMBL7364851 0.71 GABRA5 (0.39) CYP11B2GABRA5LCKIDO1
SCHEMBL29769929 0.68 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAAHPGD

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-4163745-A ANTIDIABETIC, HYPOGLYCEMIC PFIZER INC. (US) 1979-08-07 US disclosed