SCHEMBL31454340

SCHEMBL31454340

COC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.72
ALDH1A1 P00352 3/20 0.69
GAA P10253 1/20 0.69
KDM4E B2RXH2 3/20 0.64
HSD17B10 Q99714 3/20 0.64
MAPK1 P28482 2/20 0.64
AKR1C2 P52895 3/20 0.59
AKR1C1 Q04828 3/20 0.59
AKR1C4 P17516 1/20 0.59
AKR1C3 P42330 1/20 0.59
TSHR P16473 3/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL14075415 1.00 MAPT (0.72) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL6352018 0.90 MAPT (0.66) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL2275624 0.89 KDM4E (0.64) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL9513479 0.85 MAPT (0.80) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6352639 0.85 ALDH1A1 (0.55) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL6352643 0.85 ALDH1A1 (0.55) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL6350824 0.84 KCNK2 (0.62) MAPTALDH1A1GAAMAPK1AKR1C2
SCHEMBL7040635 0.83 ACLY (0.61) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL266398 0.82 AKR1C2 (0.54) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL22445033 0.82 TSHR (0.74) MAPTALDH1A1GAAKDM4EHSD17B10

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-115515685-B EIF4E inhibitors and uses thereof 皮克医疗公司 2025-04-08 CN disclosed