SCHEMBL7258954

SCHEMBL7258954

CC(C)(C)c1cc(-c2csc(C3CCNCC3)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.49
▸ CNR2 P34972 9/20 0.49
▸ CNR1 P21554 7/20 0.47
▸ BAZ2A Q9UIF9 2/20 0.43
▸ NISCH Q9Y2I1 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ AOC3 Q16853 1/20 0.36

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
SCHEMBL7258912 0.86 BAZ2A (0.46) HPGDSCNR2CNR1BAZ2ANISCH
SCHEMBL2775310 0.85 CNR2 (0.58) CNR2CNR1CA1CA2PTGS1
SCHEMBL7257521 0.84 CNR2 (0.48) CNR2CNR1CA1CA2PTGS1
SCHEMBL13422220 0.83 HPGDS (0.52) HPGDSCNR2CNR1BAZ2AAOC3
SCHEMBL13422226 0.83 HPGDS (0.52) HPGDSBAZ2AAOC3
SCHEMBL7254727 0.81 CNR2 (0.48) CNR2CNR1BAZ2ANISCHCA1
SCHEMBL7255183 0.81 CNR2 (0.47) CNR2CNR1BAZ2ANISCHCA1
SCHEMBL3588162 0.80 PTGS1 (0.41) CNR2CNR1NISCHCA1CA2
SCHEMBL7254028 0.80 CNR2 (0.46) CNR2CNR1NISCHCA1CA2
SCHEMBL13807622 0.78 NISCH (0.39) CNR2NISCHCA1CA2PTGS1

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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