SCHEMBL27489342

SCHEMBL27489342

c1ccc(CNC(Cc2ccccc2)c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 1/20 0.53
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
AKT1 P31749 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRB3 P13945 1/20 0.46
ATM Q13315 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
SCHEMBL28191143 0.87 L3MBTL1 (0.65) SLC6A2SLC6A4SLC6A3L3MBTL1MAPT
SCHEMBL17465576 0.87 L3MBTL1 (0.65) SLC6A2SLC6A4SLC6A3L3MBTL1MAPT
SCHEMBL9321453 0.81 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3L3MBTL1CYP3A4
SCHEMBL5269597 0.78 SMN1; SMN2 (0.61) L3MBTL1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL5272038 0.78 SMN1; SMN2 (0.61) L3MBTL1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL7451586 0.76 SMN1; SMN2 (0.51) SLC6A2SLC6A4SLC6A3L3MBTL1MAPT
SCHEMBL18917320 0.74 MAPT (0.48) SLC6A3L3MBTL1MAPTSMN1; SMN2SIGMAR1
SCHEMBL9322810 0.74 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3L3MBTL1CYP3A4
SCHEMBL29173215 0.74 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4SMN1; SMN2
SCHEMBL6932504 0.74 L3MBTL1 (0.57) SLC6A2SLC6A4SLC6A3L3MBTL1MAPT

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
CN-1165815-A Phenol compound and process for preparing the same TANABE SEIYAKU CO (JP) 1997-11-26 CN disclosed