SCHEMBL14280804

SCHEMBL14280804

CCc1cccc(CC)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(CC)cccc2CC)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
CYP1A2 P05177 1/20 0.37
NPSR1 Q6W5P4 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AGTR1 P30556 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL23982843 0.91 NPC1 (0.36) GABRA1GABRB2KCNK3KCNK9CYP1A2
SCHEMBL14280809 0.88 ALDH1A1 (0.38) KCNK3KCNK9CYP1A2NPSR1MAPT
SCHEMBL14280801 0.86 SIGMAR1 (0.42) GABRA1GABRB2CYP1A2NPSR1MAPT
SCHEMBL5587276 0.86 SIGMAR1 (0.42) GABRA1GABRB2CYP1A2NPSR1MAPT
SCHEMBL23982591 0.86 ALDH1A1 (0.35) CYP1A2NPSR1MAPTMEN1HPGD
SCHEMBL5589832 0.85 SIGMAR1 (0.41) GABRA1GABRB2KCNK3KCNK9CYP1A2
SCHEMBL23563259 0.83 MEN1 (0.36) CYP1A2NPSR1MAPTLMNAHTT
SCHEMBL15307707 0.81 KDR (0.41) NPSR1MAPTLMNAHTTMEN1
SCHEMBL23982841 0.79 MEN1 (0.38) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16077925 0.79 ALDH1A1 (0.38) CYP1A2NPSR1MAPTLMNAHTT

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