SCHEMBL27505716

SCHEMBL27505716

Cc1nc2c(s1)C(O)c1ccccc1C2O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ NTRK1 P04629 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL27490767 0.79 PDPK1 (0.36) GAAMAOAMAOBLMNA
SCHEMBL27505331 0.79 MAOA (0.34) MAOAMAOB
SCHEMBL27531535 0.76 ALDH1A1 (0.42) ALOX5CNR1RAB9AGAALMNA
SCHEMBL27556398 0.75 ADORA2A (0.36) RAB9ALMNAHPGDHTT
SCHEMBL27490045 0.73 TSHR (0.32) HPGD
SCHEMBL27492138 0.72 KDM4E (0.47) RAB9A
SCHEMBL27508117 0.72 DHODH (0.42) RAB9AGAA
SCHEMBL27491451 0.71 KDM4E (0.50) RAB9AGAALMNAHTT
SCHEMBL27506102 0.71 ALOX5 (0.46) ALOX5RAB9AGAALMNA
SCHEMBL27505330 0.71 KDM4E (0.49) RECQLRAB9AGAAHPGDHTT

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
CN-1204323-A Use of tricyclic 1,4-dihydro-1,4-dioxo-1 H-naphthalene derivatives, resulting novel compounds and therapeutical use thereof INNOTHERA LAB SA (FR) 1999-01-06 — — CN disclosed
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