SCHEMBL15319142

SCHEMBL15319142

Cc1cc(C)c(-c2nc3c(C)cccc3[nH]2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
MGAM O43451 16/20 0.58
GAA P10253 16/20 0.58
SI P14410 16/20 0.58
MGAM2 Q2M2H8 16/20 0.58
CBFB Q13951 1/20 0.55
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 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
SCHEMBL1170892 0.84 MGAM (0.71) ESR1MGAMGAASIMGAM2
SCHEMBL5201195 0.80 MGAM (0.72) ESR1MGAMGAASIMGAM2
SCHEMBL6368220 0.80 CBFB (0.54) ESR1MGAMGAASIMGAM2
SCHEMBL6759201 0.78 ALDH1A1 (0.60) GAA
SCHEMBL22599947 0.78 MGAM (0.56) ESR1MGAMGAASIMGAM2
SCHEMBL6056826 0.78 MGAM (0.77) ESR1MGAMGAASIMGAM2
SCHEMBL2578465 0.77 CBFB (0.73) ESR1MGAMGAASIMGAM2
SCHEMBL22599893 0.77 MGAM (0.50) ESR1MGAMGAASIMGAM2
SCHEMBL5201575 0.76 MGAM (0.68) ESR1MGAMGAASIMGAM2
SCHEMBL5204635 0.76 DHODH (0.56) ESR1MGAMGAASIMGAM2

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
WO-2013149328-A1 ANION-CONDUCTING POLYMER SIMON FRASER UNIVERSITY (CA) 2013-10-10 WO disclosed