SCHEMBL21088928

SCHEMBL21088928

CC(C)(C#N)Sc1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL15915417 0.79 HTR7 (0.42) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL25142154 0.74 MYC (0.40) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL23259470 0.72 MAOA (0.46) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL3831544 0.72 HTR7 (0.39) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL31171603 0.72 HTR7 (0.39) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL2951109 0.70 MAOA (0.40) MAOAMAOBLMNAALDH1A1CYP1A2
SCHEMBL17899831 0.70 HTR7 (0.38) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL24199390 0.69 MAOA (0.43) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL9995022 0.69 SLC22A12 (0.51)
SCHEMBL20627452 0.67 ESR1 (0.31)

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-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed