SCHEMBL11683086

SCHEMBL11683086

COc1cc(N)c(-c2ncn[nH]2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.51
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
ENPP2 Q13822 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALPL P05186 1/20 0.38
KDM1A O60341 1/20 0.38
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL15859009 0.74 IDO1 (0.54) IDO1IMPDH2IMPDH1ENPP2MAPT
SCHEMBL11361203 0.73 HSD17B10 (0.36) KDM4EPOLBHSD17B10GAACYP3A4
SCHEMBL970690 0.72 IDO1 (0.56) IDO1IMPDH2IMPDH1MAPTALPL
SCHEMBL2089491 0.72 IDO1 (0.45) IDO1IMPDH2IMPDH1ENPP2MAPT
SCHEMBL971690 0.69 KDM4E (0.53) KDM4EPOLBHSD17B10GAAALDH1A1
SCHEMBL11684549 0.69 IDO1 (0.50) IDO1ENPP2MAPTKDM4EPOLB
SCHEMBL11683730 0.68 IDO1 (1.00) IDO1ENPP2CYP3A4ALDH1A1MAPK1
SCHEMBL3572563 0.68 IDO1 (1.00) IDO1ENPP2MAPTKDM4EHSD17B10
SCHEMBL209984 0.66 NPC1 (0.56) MAPTKDM4EPOLBHSD17B10GAA
SCHEMBL29532421 0.66 NPC1 (0.56) MAPTKDM4EPOLBHSD17B10GAA

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-4020083-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1977-04-26 US disclosed