SCHEMBL6910964

SCHEMBL6910964

Cc1cc(C)c(N=Cc2cccc(C=NC(C)(C)C)n2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL6910961 1.00 ALDH1A1 (0.33) ALDH1A1MAPTHTTNPSR1CYP1A2
SCHEMBL6911990 0.89 MAPT (0.33) ALDH1A1MAPTNPSR1MEN1NPC1
SCHEMBL6911986 0.89 MAPT (0.33) ALDH1A1MAPTNPSR1MEN1NPC1
SCHEMBL5588346 0.89 ALDH1A1 (0.38) ALDH1A1MAPTHTTNPSR1CYP1A2
SCHEMBL5588352 0.89 ALDH1A1 (0.38) ALDH1A1MAPTHTTNPSR1CYP1A2
SCHEMBL6907852 0.88 MEN1 (0.31) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL6907849 0.88 MEN1 (0.31) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL5589321 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHTTNPSR1CYP1A2
Hydrochloric Acid SCHEMBL7178409 0.86 MAPT (0.37) ALDH1A1MAPTHTTNPSR1CYP1A2
Hydrochloric Acid SCHEMBL7180914 0.86 MAPT (0.37) ALDH1A1MAPTHTTNPSR1CYP1A2

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
WO-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed