SCHEMBL12445704

SCHEMBL12445704

C=C(N)COc1c(Cl)cc(CNCc2cccs2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
CYP2D6 P10635 4/20 0.57
CYP2C19 P33261 4/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 2/20 0.57
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KMT2A Q03164 5/20 0.45
PKM P14618 1/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2333728 0.90 CYP1A2 (0.70) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2325585 0.81 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2365016 0.78 CYP1A2 (0.72) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL13310979 0.74 KMT2A (0.63) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL2333538 0.73 KMT2A (0.65) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL13310937 0.72 SMN1; SMN2 (0.70) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL13310957 0.67 ALDH1A1 (0.55) MAPTSMN1; SMN2TDP1L3MBTL1NPSR1
SCHEMBL22305112 0.67 LMNA (0.68) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2331661 0.67 POLB (0.58) CYP2D6CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL2333441 0.67 S1PR2 (0.61) CYP2D6CYP2C19CYP3A4CYP2C9MAPT

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
WO-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO disclosed