SCHEMBL20644264

SCHEMBL20644264

CCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.61
KIF11 P52732 1/20 0.57
SIGMAR1 Q99720 1/20 0.47
DUT P33316 1/20 0.44
NAAA Q02083 3/20 0.43
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41
HPGD P15428 1/20 0.40

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
Bromide SCHEMBL31502532 0.98 KCNN4 (0.59) KCNN4KIF11SIGMAR1DUTNAAA
SCHEMBL14288493 0.98 KCNN4 (0.59) KCNN4KIF11SIGMAR1DUTNAAA
SCHEMBL29788846 0.98 KCNN4 (0.59) KCNN4KIF11SIGMAR1DUTNAAA
SCHEMBL14288491 0.94 KCNN4 (0.63) KCNN4KIF11SIGMAR1DUTNAAA
Acetic Acid SCHEMBL23711260 0.85 KCNN4 (0.53) KCNN4KIF11DUTNAAAEPHX1
SCHEMBL8961063 0.85 KCNN4 (0.68) KCNN4KIF11SIGMAR1DUTHTT
SCHEMBL12264133 0.85 KIF11 (0.68) KCNN4KIF11SIGMAR1DUTALDH1A1
SCHEMBL21189694 0.84 KCNN4 (0.52) KCNN4KIF11SIGMAR1DUTNAAA
SCHEMBL23861615 0.84 KCNN4 (0.52) KCNN4KIF11DUTNAAAALDH1A1
SCHEMBL8697311 0.82 SIGMAR1 (0.46) KCNN4SIGMAR1NAAAEPHX1ALDH1A1

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-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed