SCHEMBL8595302

SCHEMBL8595302

Cc1c(Cc2cccnc2)sc2ccc(OC(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.41
▸ TBXAS1 P24557 9/20 0.39
▸ MAPT P10636 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL145411 0.83 TBXAS1 (0.56) TBXAS1MAPTLMNATP53
SCHEMBL10851841 0.81 TBXAS1 (0.46) TBXAS1MAPTLMNATP53
SCHEMBL10859386 0.78 HTT (0.42) TBXAS1
SCHEMBL10856578 0.76 TBXAS1 (0.56) TBXAS1NAPRT
SCHEMBL10858213 0.75 AR (0.41) —
SCHEMBL8119538 0.71 MTNR1A (0.66) CLK1MTNR1AMTNR1B
SCHEMBL10859377 0.71 PTGFR (0.39) TBXAS1LMNA
SCHEMBL17888979 0.69 ALDH1A1 (0.50) —
SCHEMBL8117069 0.69 NR1D1 (0.43) CLK1MAPTLMNAMTNR1AMTNR1B
SCHEMBL10854472 0.68 AR (0.41) LMNA

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
EP-0662950-B1 BENZENEALKANOIC ACIDS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1998-01-14 — — EP claimed
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