SCHEMBL9570663

SCHEMBL9570663

N#CCc1ccccc1OCCCCCOc1ccccc1CC#N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
PTK2B Q14289 1/20 0.41
HRH1 P35367 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9445274 0.92 MAPT (0.48) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL9834537 0.90 CYP1A2 (0.46) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL10634246 0.87 CYP1A2 (0.51) L3MBTL1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL7781498 0.85 L3MBTL1 (0.47) L3MBTL1CYP1A2CYP2C9TSHRMAPT
SCHEMBL17008035 0.81 KDM4E (0.48) L3MBTL1TSHRMAPTNPSR1HPGD
SCHEMBL7197450 0.81 L3MBTL1 (0.55) L3MBTL1CYP1A2CYP2C9TSHRMAPT
SCHEMBL31391959 0.81 ALDH1A1 (0.41) L3MBTL1CYP1A2MAPTNPSR1HPGD
SCHEMBL4388500 0.80 HRH1 (0.64) L3MBTL1CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL3150720 0.78 HTR1A (0.61) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL7200892 0.77 ALDH1A1 (0.49) L3MBTL1CYP1A2CYP3A4TSHRMAPT

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-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed