SCHEMBL7972386

SCHEMBL7972386

Cc1ccc(-c2ccc(C3(c4ccc([N+](=O)[O-])cc4)OC(=O)C(O)=C3O)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
STAT3 P40763 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL6027688 0.87 CYP3A4 (0.40) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6028062 0.79 CYP3A4 (0.41) MAPTRAB9ALMNASMN1; SMN2MEN1
SCHEMBL7968407 0.79 POLB (0.46) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL7971836 0.78 APP (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7965276 0.77 HSPB1 (0.40) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL7968549 0.77 MAPT (0.41) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL7966269 0.77 LMNA (0.40) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL7968467 0.77 MAPT (0.39) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL6932932 0.75 MDM2 (0.38) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL7539856 0.74 ABCG2 (0.37) MAPTRAB9APOLB

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed