SCHEMBL29977263

SCHEMBL29977263

COC(=O)c1cc(=O)c2ccc(OS(=O)(=O)C(F)(F)F)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 4/20 0.41
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CXCR2 P25025 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL30715310 0.80 TUBB4A (0.43) L3MBTL1KDM4EHSD11B1ALDH1A1HPGD
SCHEMBL3673992 0.74 HSD11B1 (0.42) L3MBTL1KDM4EHSD11B1ALDH1A1HPGD
SCHEMBL19343831 0.74 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29463590 0.73 KDM4E (0.69) KDM4EHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL19249104 0.73 KDM4E (0.53) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL272962 0.71 PDE4B (0.51) KDM4EHSD11B1ALDH1A1HPGDCXCR2
SCHEMBL3316267 0.71 STS (0.49) L3MBTL1KDM4EHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL364293 0.70 KMT2A (0.49) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5569165 0.70 HSD11B1 (0.47) KDM4EHSD11B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL31393691 0.70 EGFR (0.36) HSD11B1HPGDSMN1; SMN2DRD2DRD3

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-115403558-A Aromatic heterocyclic compound with antitumor activity and preparation method and application thereof 河南真实生物科技有限公司 2022-11-29 CN disclosed