SCHEMBL16613822

SCHEMBL16613822

CCCCN(CC)C(=O)c1cccc(N=N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ TSHR P16473 2/20 0.56
▸ GAA P10253 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.49
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 5/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ XBP1 P17861 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
SCHEMBL16613803 0.85 L3MBTL1 (0.47) HPGDALDH1A1TSHRGAATP53
SCHEMBL2225313 0.80 HPGD (0.77) HPGDALDH1A1TSHRGAATDP1
SCHEMBL10722469 0.79 HPGD (0.69) HPGDALDH1A1TSHRGAATDP1
SCHEMBL13818595 0.79 HPGD (0.70) HPGDALDH1A1TSHRGAATDP1
SCHEMBL1005865 0.78 HPGD (0.82) HPGDALDH1A1TSHRGAALMNA
SCHEMBL10456889 0.74 HPGD (0.71) HPGDALDH1A1TSHRGAATDP1
SCHEMBL12640134 0.74 HPGD (0.62) HPGDALDH1A1TSHRGAATDP1
SCHEMBL22062164 0.74 HPGD (0.49) HPGDALDH1A1TSHRGAALMNA
SCHEMBL10724585 0.73 HPGD (0.61) HPGDALDH1A1TSHRGAATDP1
SCHEMBL6919327 0.73 HPGD (0.74) HPGDALDH1A1TSHRGAALMNA

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-2015046618-A1 DYE COMPOUND, INK, AND RESIST COMPOSITION FOR COLOR FILTER CANON KABUSHIKI KAISHA (JP) 2015-04-02 — — WO disclosed
Send feedback