SCHEMBL11073152

SCHEMBL11073152

CCn1c(-c2ccc(OC)c(C)c2)nc2c3ccccc3ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGER4 P35408 12/20 0.43
KDM4E B2RXH2 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL11079618 0.84 GRIK2 (0.52) HSD17B10ALDH1A1MEN1TSHRKMT2A
SCHEMBL11075432 0.84 SHMT2 (0.48) HSD17B10ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11290683 0.83 GRIK2 (0.47) KMT2ATDP1PTGER4KDM4EHPGD
SCHEMBL11077028 0.81 NLRP3 (0.55) HSD17B10ALDH1A1MEN1USP2TSHR
SCHEMBL11435483 0.79 PTGER4 (0.51) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL11075906 0.78 NLRP3 (0.50) HSD17B10ALDH1A1MEN1USP2GLA
SCHEMBL11441847 0.77 HTR6 (0.42) HSD17B10ALDH1A1TSHRPTGER4KDM4E
SCHEMBL11448810 0.77 SHMT2 (0.48) HSD17B10ALDH1A1MEN1TSHRKMT2A
SCHEMBL11078753 0.77 TLR8 (0.44) HSD17B10ALDH1A1MEN1USP2TSHR
SCHEMBL11083637 0.77 ALDH1A1 (0.62) HSD17B10ALDH1A1MEN1KMT2APTGER4

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-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed