SCHEMBL29800593

SCHEMBL29800593

CCOC(=O)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.54
GABRA1 P14867 3/20 0.53
GABRB2 P47870 3/20 0.53
TSHR P16473 1/20 0.52
GABRB1 P18505 2/20 0.52
GABRA3 P34903 2/20 0.52
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL22864631 1.00 NR4A2 (0.54) NR4A2GABRA1GABRB2TSHRGABRB1
SCHEMBL4742551 0.91 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3ALDH1A1
SCHEMBL30175047 0.89 ALDH1A1 (0.61) NR4A2GABRA1GABRB2TSHRGABRB1
SCHEMBL5313637 0.89 ALDH1A1 (0.61) NR4A2GABRA1GABRB2TSHRGABRB1
SCHEMBL1557626 0.86 ALDH1A1 (0.47) NR4A2GABRA1GABRB2ALDH1A1MEN1
SCHEMBL5245797 0.84 CA12 (0.56) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL6421158 0.84 IMPDH2 (0.63) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL4235843 0.84 NR4A2 (0.70) NR4A2
SCHEMBL6490095 0.83 GABRA1 (0.70) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL846416 0.82 GABRA1 (0.74) GABRA1GABRB2GABRB1GABRA3ALDH1A1

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
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed