SCHEMBL13470808

SCHEMBL13470808

CCc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ HPGD P15428 1/20 0.57
▸ THRB P10828 3/20 0.55
▸ TP53 P04637 4/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.53

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
SCHEMBL2624625 0.92 MAPT (0.70) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1075389 0.85 MAPT (0.80) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12963235 0.81 MAPT (0.67) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL2624629 0.80 MAPT (0.71) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12963229 0.79 MAPT (0.71) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL2247443 0.77 SMN1; SMN2 (1.00) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12963206 0.77 MAPT (0.65) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12963459 0.76 ALDH1A1 (0.62) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL21674646 0.76 MAPT (0.64) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12963245 0.75 MAPT (0.68) MAPTSMN1; SMN2KDM4ENPC1RAB9A

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
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 — — EP disclosed
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