SCHEMBL7656988

SCHEMBL7656988

Nc1ccc2c(c1C(=O)c1cccc3c1OCO3)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK14 Q16539 1/20 0.37
KDM4C Q9H3R0 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
SCHEMBL6206600 0.82 ABCG2 (0.44) LMNAHPGDPKMMAPK14KDM4C
SCHEMBL6996541 0.78 ALDH1A1 (0.44) MAPTLMNAHPGDMEN1NPC1
SCHEMBL339590 0.76 SMN1; SMN2 (0.41) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL29625406 0.76 PARP1 (0.54) LMNAHPGDNPC1RAB9ACHEK1
SCHEMBL1720148 0.76 PARP1 (0.54) LMNAHPGDNPC1RAB9ACHEK1
SCHEMBL29514911 0.75 AKR1C3 (0.47) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7002428 0.75 AKR1C3 (0.47) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL340702 0.74 KDM4C (0.52) LMNAHPGDKDM4CGSK3BMAOB
SCHEMBL29442138 0.74 KDM4C (0.52) LMNAHPGDKDM4CGSK3BMAOB
SCHEMBL7851584 0.73 KDM4E (0.42) MAPTLMNAHPGDMEN1NPC1

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