SCHEMBL6182647

SCHEMBL6182647

S=C1[N]C(CC2CCSc3ccccc32)=CN1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.37
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
USP2 O75604 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
HCRTR1 O43613 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
SCHEMBL5802150 0.80 HTR6 (0.47)
SCHEMBL1340908 0.70 ALPL (0.36) KDM4CALPLALPIUSP2MEN1
SCHEMBL7791634 0.68 HTR3A (0.44) KDM4C
SCHEMBL5799245 0.68 ESR1 (0.37) KDM4C
SCHEMBL15818455 0.68 KDM4C (0.43) KDM4CALPLALPIUSP2MEN1
SCHEMBL25675893 0.68 KDM4C (0.43) KDM4CALPLALPIUSP2MEN1
SCHEMBL21655317 0.68 KDM4C (0.43) KDM4CALPLALPIUSP2MEN1
SCHEMBL5798547 0.66 CYP19A1 (0.44)
SCHEMBL5798616 0.66 ESR1 (0.37) HCRTR1
SCHEMBL5172771 0.65 KDM4C (0.44) KDM4CALPLALPIUSP2MEN1

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
EP-1507767-A1 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS Allergan, Inc. (US) 2005-02-23 EP disclosed
WO-2003099795-A1 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2003-12-04 WO disclosed