SCHEMBL4346170

SCHEMBL4346170

NCC(N)c1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
MAPK1 P28482 1/20 0.31
MAOB P27338 3/20 0.31
HTR2A P28223 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
MPO P05164 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4357196 0.85 SLC6A4 (0.36) HTR6ALDH1A1TAAR1HTR2CHTR2B
SCHEMBL13718456 0.85 ALDH1A1 (0.39) HTR6ALDH1A1TDP1TAAR1NPSR1
SCHEMBL16018751 0.80 HTR6 (0.38) HTR6ALDH1A1TDP1TAAR1NPSR1
SCHEMBL1020357 0.71 SMN1; SMN2 (0.39) HTR6ALDH1A1TDP1NPSR1HTR2C
SCHEMBL8203524 0.71 ALDH1A1 (0.41) HTR6ALDH1A1TDP1TAAR1NPSR1
SCHEMBL1021489 0.70 ALDH1A1 (0.36) HTR6ALDH1A1LOXL2TDP1HTR2C
SCHEMBL1020748 0.70 HTR6 (0.36) HTR6ALDH1A1TDP1NPSR1HTR2C
SCHEMBL1021374 0.70 ALDH1A1 (0.37) HTR6ALDH1A1LOXL2TDP1TAAR1
SCHEMBL1019826 0.70 ALDH1A1 (0.37) HTR6ALDH1A1HTR2CMAOB
SCHEMBL16016397 0.69 HTR6 (0.39) HTR6ALDH1A1TDP1TAAR1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP claimed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO claimed