SCHEMBL7980845

SCHEMBL7980845

NCCOc1ccc2c3c([nH]c2c1)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.49
MAPT P10636 7/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR7 P34969 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
NQO1 P15559 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL7984120 0.88 PARP1 (0.57) PARP1MAPTLMNAKDM4EALDH1A1
SCHEMBL7242940 0.83 MAPT (0.47) PARP1MAPTLMNAKDM4EALDH1A1
SCHEMBL1798750 0.78 MAOA (0.46) PARP1HTR1DHTR1BHTR1A
SCHEMBL4114434 0.78 HTR7 (0.67) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL8311251 0.77 HTR7 (0.65) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL8318327 0.77 HTR7 (0.65) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5016354 0.75 HTR7 (0.67) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7967383 0.74 ALOX15 (0.51) ALDH1A1
SCHEMBL7980850 0.74 ALOX15 (0.51) ALDH1A1
SCHEMBL7977145 0.74 ALOX15 (0.51) ALDH1A1

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-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed