SCHEMBL8360992

SCHEMBL8360992

c1ccc(-c2ccccc2-c2ccccc2-c2nc3ccccc3o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.64
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HPGD P15428 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
USP2 O75604 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 6/20 0.53
RAB9A P51151 5/20 0.53
ATM Q13315 1/20 0.53
TOP2A P11388 1/20 0.53
TP53 P04637 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL3788633 0.98 PTGS2 (0.66) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8849806 0.95 PTGS2 (0.67) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL12854009 0.91 TOP2A (0.60) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27281933 0.89 ALDH1A1 (0.56) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10125824 0.89 PTGS2 (0.60) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL171055 0.89 TOP2A (0.62) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29504749 0.89 TOP2A (0.62) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL12776972 0.85 ALDH1A1 (0.55) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL24155767 0.85 PTGS2 (0.66) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10126005 0.85 PTGS2 (0.63) PTGS2ALDH1A1HSD17B10MEN1KMT2A

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-5900344-A Carrier composition and processes thereof XEROX CORPORATION (US) 1999-05-04 US disclosed