SCHEMBL8484407

SCHEMBL8484407

COC(=O)c1ccc2c(-c3ccc(OC)cc3)c[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.62
NPC1 O15118 1/20 0.57
IMPDH2 P12268 2/20 0.55
PDGFRB P09619 1/20 0.53
EIF2AK2 P19525 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
PRKAB2 O43741 3/20 0.51
PRKAG1 P54619 3/20 0.51
PRKAA2 P54646 3/20 0.51
PRKAA1 Q13131 3/20 0.51
PRKAG3 Q9UGI9 3/20 0.51
PRKAG2 Q9UGJ0 3/20 0.51
PRKAB1 Q9Y478 3/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NR4A2 P43354 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL145745 0.87 ASH1L (0.62) ASH1LNPC1IMPDH2PDGFRBEIF2AK2
SCHEMBL145474 0.86 ASH1L (0.72) ASH1LNPC1IMPDH2PDGFRBEIF2AK2
SCHEMBL17327719 0.80 ASH1L (0.57) ASH1LNPC1IMPDH2PDGFRBEIF2AK2
SCHEMBL4331915 0.80 ASH1L (0.60) ASH1LNPC1IMPDH2PDGFRBEIF2AK2
SCHEMBL23675210 0.79 ASH1L (0.71) ASH1LNPC1IMPDH2PDGFRBEIF2AK2
SCHEMBL30776866 0.79 ASH1L (0.71) ASH1LNPC1IMPDH2PDGFRBEIF2AK2
SCHEMBL29994513 0.79 ASH1L (0.71) ASH1LNPC1IMPDH2PDGFRBEIF2AK2
SCHEMBL5609122 0.78 NR4A2 (0.59) ASH1LNPC1IMPDH2ALDH1A1MAPT
SCHEMBL19475912 0.77 NPC1 (0.62) ASH1LNPC1IMPDH2PDGFRBEIF2AK2
SCHEMBL30954379 0.77 PRKAB2 (0.55) NPC1CA1CA2PRKAB2PRKAG1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5936098-A Process for producing indoline compounds and intermediates for the production of the same TOKYO TANABE COMPANY LIMITED (JP) 1999-08-10 US disclosed
EP-0810214-A1 PROCESS FOR PRODUCING INDOLINE COMPOUNDS AND INTERMEDIATES FOR THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1997-12-03 EP disclosed