SCHEMBL8093489

SCHEMBL8093489

Cc1nn(-c2ccc(C(=O)O)cc2)c(O)c1-c1c(C)nn(-c2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
POLB P06746 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 1/20 0.56
PTGS2 P35354 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APEX1 P27695 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KDM6B O15054 1/20 0.47
ABCC4 O15439 1/20 0.47
KDM4A O75164 1/20 0.47

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
SCHEMBL10049724 0.87 POLB (0.60) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL8081936 0.80 SMN1; SMN2 (0.56) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL4273717 0.78 NPC1 (0.75) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL12467265 0.73 GAA (0.63) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL27496860 0.73 MEN1 (0.53) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL6208785 0.73 HIF1A (0.49) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL25256062 0.73 HIF1A (0.59) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL29402710 0.73 HIF1A (0.59) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL23401877 0.72 SMN1; SMN2 (0.47) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL14132909 0.72 SMN1; SMN2 (0.65) MAPTSMN1; SMN2NPC1TP53RAB9A

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-6121305-A 5,5'-DIHYDROXY-4,4'-BIPYRAZOLE COMPOUNDS OF GIVEN FORMULA; FREE RADICAL SCAVENGER; USE TO TREAT CEREBRAL ISCHEMIA, HEART DISEASE, CARCINOMA, AGING, INFLAMMATION OR DIGESTIVE SYSTEM DISEASE, OR IN DETECTION OF AN ACTIVE OXYGEN OR FREE RADICALS DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2000-09-19 US disclosed