SCHEMBL6233676

SCHEMBL6233676

COc1cccc(Cc2n[c]cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
LTA4H P09960 1/20 0.46
DHFR P00374 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR1B P28222 1/20 0.45
TAAR1 Q96RJ0 3/20 0.44
MAOB P27338 3/20 0.43
LPO P22079 1/20 0.42
IDH1 O75874 1/20 0.42
CMA1 P23946 1/20 0.41
GPR52 Q9Y2T5 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
SCHEMBL2088662 0.81 ALDH1A1 (0.50) IDO1AGXTLTA4H
SCHEMBL2094203 0.81 MAOB (0.51) IDO1AGXTMAOB
SCHEMBL6232418 0.80 LTA4H (0.43) IDO1LTA4HTAAR1MAOB
SCHEMBL6235370 0.77 IDO1 (0.42) IDO1AGXTTAAR1MAOBIDH1
SCHEMBL2099512 0.75 CHRM2 (0.66) IDO1AGXTLTA4HCHRM2CHRM1
Ammonia Solution, Strong SCHEMBL25291856 0.72 LTA4H (0.51) IDO1AGXTLTA4HDHFRCHRM2
SCHEMBL29194587 0.71 ALDH1A1 (0.68) IDO1AGXTLTA4HDHFRTAAR1
SCHEMBL27318933 0.71 TAAR1 (0.46) IDO1AGXTLTA4HDHFRCHRM2
SCHEMBL2092574 0.70 LTA4H (0.67) IDO1AGXTLTA4HCHRM2CHRM1
SCHEMBL31739258 0.70 LTA4H (0.67) IDO1AGXTLTA4HCHRM2CHRM1

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO claimed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed