SCHEMBL11520195

SCHEMBL11520195

CCc1cc(C(OC(c2ccccc2)c2cc(CC)cc([N+](=O)[O-])c2C)c2ccccc2)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
FBP1 P09467 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
ALPG P10696 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
KAT2B Q92831 1/20 0.33
APP P05067 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL11508254 0.84 TSHR (0.40) ALDH1A1TDP1MAPTL3MBTL1MEN1
SCHEMBL11510417 0.78 TDP1 (0.53) ALDH1A1TDP1MAPTL3MBTL1MEN1
SCHEMBL11518522 0.77 TACR1 (0.33) MAPTLMNAGAA
SCHEMBL384635 0.73 CYP1A2 (0.50) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL11519375 0.72 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11520202 0.71 MAPT (0.48) ALDH1A1TDP1MAPTL3MBTL1MEN1
SCHEMBL10256336 0.69 CYP1A2 (0.52) ALDH1A1FBP1TDP1MAPTL3MBTL1
SCHEMBL11516735 0.69 TSHR (0.44) ALDH1A1TDP1MAPTL3MBTL1MEN1
SCHEMBL11519652 0.69 ALDH1A1 (0.43) ALDH1A1TDP1MAPTLMNAGAA
SCHEMBL4622230 0.69 CRHBP (0.41) ALDH1A1TDP1MAPTMEN1KMT2A

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-4171446-A Indazole compounds BOEHRINGER MANNHEIM GMBH (DE) 1979-10-16 US disclosed