SCHEMBL9016444

SCHEMBL9016444

Cn1nnnc1-c1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.45
SRC P12931 2/20 0.44
MAOB P27338 2/20 0.44
SRD5A2 P31213 1/20 0.44
ABL1 P00519 1/20 0.44
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL1055899 0.88 MAPT (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12458009 0.81 CHRNB2 (0.49) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL1059430 0.79 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL31605198 0.78 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL31605136 0.76 MCL1 (0.47) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL12433000 0.72 ALOX5 (0.73) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL4506543 0.71 CYP11B2 (0.68) ALOX5MAPTCYP3A4
SCHEMBL51460 0.71 ALOX5 (1.00) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL8984340 0.71 ALOX5 (0.92) ALOX5NPC1RAB9AMEN1KMT2A
Methyl Alcohol SCHEMBL29235268 0.70 ALOX5 (0.89) ALOX5NPC1RAB9AMEN1KMT2A

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
EP-0604983-B1 Naphthalene derivatives MITSUBISHI CHEM CORP (JP) 1996-11-20 EP disclosed
EP-0604983-A1 Naphthalene derivatives Mitsubishi Chemical Corporation (JP) 1994-07-06 EP disclosed