SCHEMBL4406033

SCHEMBL4406033

FC(F)(F)C(F)(F)c1nnn(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ABCB1 P08183 1/20 0.35
GRM5 P41594 3/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL4408852 0.85 ABCG2 (0.46) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL4408946 0.78 ABCG2 (0.46) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL4404185 0.78 ABCG2 (0.46) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL4408406 0.75 ABCG2 (0.44) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL4410795 0.72 NPC1 (0.55) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL4409073 0.71 RAB9A (0.54) NPC1RAB9A
SCHEMBL31375500 0.68 NPC1 (0.45) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL54820 0.67 ABCG2 (0.50) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL4406572 0.67 ABCG2 (0.50) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL4407724 0.67

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed