SCHEMBL15330573

SCHEMBL15330573

COc1ccc(-c2nc(C=O)c[nH]2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.49
TYR P14679 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
ERN1 O75460 3/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
NPC1 O15118 5/20 0.44
GRK6 P43250 1/20 0.44
NOTUM Q6P988 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40

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
SCHEMBL2557565 0.90 GUSB (0.48) TRIM24TYRTRIM33ERN1MGAM
SCHEMBL2554665 0.86 ALDH1A1 (0.46) ERN1GAAALDH1A1MAPTKDM4E
SCHEMBL2556126 0.85 AMY1A (0.51) ERN1GRK6ALDH1A1MAPTKDM4E
SCHEMBL2557528 0.83 KDM4E (0.44) ALDH1A1MAPTKDM4ECYP1A2CYP2C19
SCHEMBL2550228 0.83 GRK6 (0.44) ERN1NPC1GRK6ALDH1A1MAPT
SCHEMBL15333373 0.82 ESR1 (0.44) ERN1GAAALDH1A1MEN1KMT2A
SCHEMBL15331720 0.81 ALDH1A1 (0.44) ERN1GAAALDH1A1MAPTKDM4E
SCHEMBL31429628 0.80 MGAM (0.52) MGAMGAASIMGAM2NPC1
SCHEMBL2553963 0.80 AMY1A (0.41) NPC1ALDH1A1MEN1KMT2A
SCHEMBL2556342 0.79 GSTP1 (0.46) NPC1ALDH1A1MAPTKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed