SCHEMBL14280809

SCHEMBL14280809

CCc1cc(C)cc(CC)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(CC)cc(C)cc2CC)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 1/20 0.36
MAPT P10636 6/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
AGTR1 P30556 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
SCHEMBL23563259 0.91 MEN1 (0.36) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL14280804 0.88 GABRA1 (0.39) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL23982841 0.87 MEN1 (0.38) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL14280811 0.82 ALDH1A1 (0.39) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL5589752 0.82 ALDH1A1 (0.39) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL5587276 0.81 SIGMAR1 (0.42) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL14280801 0.81 SIGMAR1 (0.42) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL5589661 0.81 ALDH1A1 (0.38) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL23982843 0.81 NPC1 (0.36) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL5589832 0.80 SIGMAR1 (0.41) ALDH1A1CYP1A2MAPTKMT2AMEN1

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
US-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed