SCHEMBL7657958

SCHEMBL7657958

O=C1OCCc2c1nc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 3/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CTNNB1 P35222 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38

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
SCHEMBL8072699 0.89 ALOX5 (0.51) ALOX5MEN1KMT2ARAB9ATNKS
SCHEMBL7663113 0.80 ALOX5 (0.53) ALOX5MEN1KMT2ARAB9ATNKS
SCHEMBL7660819 0.70 KDM4E (0.53) ALOX5MEN1KMT2ACTNNB1ALDH1A1
Helioxanthin SCHEMBL2960321 0.70 ALOX5 (0.70) ALOX5MEN1KMT2AALDH1A1LMNA
SCHEMBL8082307 0.70 ALOX5 (0.47) ALOX5MEN1KMT2ARAB9AALDH1A1
Helioxanthin SCHEMBL29623971 0.70 ALOX5 (0.70) ALOX5MEN1KMT2AALDH1A1LMNA
SCHEMBL7658336 0.68 ALDH1A1 (0.42) ALOX5MEN1KMT2ARAB9AALDH1A1
SCHEMBL7656174 0.68 ALDH1A1 (0.53) ALOX5MEN1KMT2ARAB9AALDH1A1
SCHEMBL7655721 0.67 ALOX5 (0.49) ALOX5MEN1KMT2ARAB9APARP1
SCHEMBL8072490 0.67 ALOX5 (0.56) ALOX5MEN1KMT2ARAB9APARP1

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed