SCHEMBL7255168

SCHEMBL7255168

CN1CCNC(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.44
▸ CNR1 P21554 6/20 0.43
▸ NISCH Q9Y2I1 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ MGAM O43451 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL7254727 0.83 CNR2 (0.48) CNR2CNR1NISCHCA1CA2
SCHEMBL7255183 0.82 CNR2 (0.47) CNR2CNR1NISCHCA1CA2
SCHEMBL7255176 0.81 CNR2 (0.46) CNR2CNR1CA1CA2PTGS1
SCHEMBL7254028 0.81 CNR2 (0.46) CNR2CNR1NISCHCA1CA2
SCHEMBL7257573 0.79 CNR2 (0.45) CNR2CNR1CA1CA2PTGS1
SCHEMBL7257521 0.78 CNR2 (0.48) CNR2CNR1CA1CA2PTGS1
SCHEMBL7254096 0.77 CNR2 (0.42) CNR2CNR1GAAMGAMSI
SCHEMBL7258954 0.75 HPGDS (0.49) CNR2CNR1NISCHCA1CA2
SCHEMBL7257577 0.74 CNR2 (0.47) CNR2CNR1CA1CA2
SCHEMBL7254992 0.73 CNR2 (0.48) CNR2CNR1

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-2003062232-A1 DERIVATIVES OF THIAZOLES USED FOR THE TREATMENT OF NEUROLOGICAL DISEASES SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-31 — — WO claimed
WO-2003062232-A1 DERIVATIVES OF THIAZOLES USED FOR THE TREATMENT OF NEUROLOGICAL DISEASES SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-31 — — WO disclosed
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