SCHEMBL6965487

SCHEMBL6965487

CCc1sccc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 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
SCHEMBL6965789 0.85 CYP11B1 (0.33) SIRT2CYP11B1CYP11B2
SCHEMBL6969219 0.82 SIRT2 (0.34) SIRT2IDO1TDO2FLT3TYRO3
SCHEMBL6971378 0.80 SIRT2 (0.35) SIRT2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL7809232 0.78 CYP11B1 (0.33) SIRT2CYP11B1CYP11B2
SCHEMBL6963184 0.75 CYP11B1 (0.33) SIRT2CYP11B1CYP11B2
SCHEMBL7809133 0.75 SIRT2 (0.34) SIRT2CYP11B1CYP11B2
SCHEMBL5060964 0.75 LMNA (0.40) SIRT2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL3164127 0.75 SIRT2 (0.37) SIRT2
SCHEMBL2202154 0.75 CYP11B1 (0.40) SIRT2CYP11B1CYP11B2
SCHEMBL6972517 0.74 SIRT2 (0.34) SIRT2IDO1TDO2CYP11B1CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954521-B1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2003-05-14 EP disclosed
EP-0954521-A1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY Ortho-McNeil Pharmaceutical, Inc. (US) 1999-11-10 EP disclosed
US-5750720-A ALPHA-ADRENORECEPTORS AND CENTRAL NERVOUS SYSTEMS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-12 US disclosed
WO-1997035858-A1 4-[(THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING α2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 WO disclosed