SCHEMBL29664479

SCHEMBL29664479

Nc1ccc2c(n1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
SRC P12931 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
LTB4R Q15722 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP19A1 P11511 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.34
MCHR1 Q99705 2/20 0.34
MPO P05164 1/20 0.34
ULK1 O75385 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
OGA O60502 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4560890 1.00 ADORA2A (0.38) ADORA2AADORA1SRCABCG2ADORA3
SCHEMBL2295626 0.83 MBOAT4 (0.40) ALDH1A1
SCHEMBL31168492 0.83 MBOAT4 (0.40) ALDH1A1
SCHEMBL14910677 0.74 ABCG2 (0.37) SRCABCG2ALDH1A1MAPK1CYP3A4
SCHEMBL31003337 0.74 ABCG2 (0.37) SRCABCG2ALDH1A1MAPK1CYP3A4
SCHEMBL30954618 0.74 ABCG2 (0.37) ADORA2AADORA1SRCABCG2ADORA3
SCHEMBL25161730 0.69 OGA (0.36) ABCG2ALDH1A1CYP3A4TAAR1OGA
SCHEMBL10267209 0.69 OGA (0.35) ABCG2ALDH1A1CYP3A4OGAHSD17B10
SCHEMBL10291128 0.69 EDNRB (0.38) ADORA1ABCG2ADORA3ALDH1A1TAAR1
SCHEMBL31003117 0.67 ALDH1A1 (0.40) ADORA2AADORA1ADORA3ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626864-A1 LINEAR HETEROARYL DIAMIDE IRE1/XBP1S ACTIVATORS Protego Biopharma, Inc. (US) 2025-10-08 EP disclosed
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
WO-2024118801-A1 LINEAR HETEROARYL DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2024-06-06 WO disclosed
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed