SCHEMBL28371824

SCHEMBL28371824

COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ NPSR1 Q6W5P4 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ METAP2 P50579 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TNKS2 Q9H2K2 3/20 0.48
▸ TNKS O95271 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ AXIN2 Q9Y2T1 1/20 0.48
▸ TERT O14746 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ LMNA P02545 2/20 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
SCHEMBL28371229 0.93 METAP2 (0.52) TP53MAPTNPSR1MEN1KMT2A
SCHEMBL28371334 0.93 MAPT (0.54) TP53MAPTNPSR1KMT2AUSP2
SCHEMBL28376533 0.93 METAP2 (0.59) TP53MAPTNPSR1MEN1KMT2A
SCHEMBL28371820 0.91 METAP2 (0.51) TP53MAPTNPSR1USP2TSHR
SCHEMBL28374960 0.91 METAP2 (0.51) TP53MAPTNPSR1MEN1KMT2A
SCHEMBL28375380 0.91 ALDH1A1 (0.55) TP53MAPTNPSR1USP2TSHR
SCHEMBL28886198 0.88 ALDH1A1 (0.53) TP53MAPTNPSR1MEN1KMT2A
SCHEMBL28375277 0.86 SMN1; SMN2 (0.62) TP53MAPTNPSR1MEN1KMT2A
SCHEMBL28371152 0.85 NPSR1 (0.48) TP53MAPTNPSR1MEN1KMT2A
SCHEMBL28376596 0.84 MEN1 (0.55) TP53MAPTNPSR1MEN1KMT2A

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-104910082-B 3,4, 5-trisubstituted-1, 2, 4-triazole thioether derivative and synthesis method and application thereof 贵阳学院 2020-03-17 — — CN disclosed
Send feedback