SCHEMBL28371334

SCHEMBL28371334

COc1cc(-c2nnc(SCc3ccccc3F)n2-c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ PTK2 Q05397 1/20 0.53
▸ METAP2 P50579 2/20 0.52
▸ GPBAR1 Q8TDU6 3/20 0.52
▸ USP2 O75604 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TERT O14746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ TUBA1B P68363 1/20 0.48
▸ TUBA4A P68366 1/20 0.48
▸ TUBB4B P68371 1/20 0.48
▸ TUBB3 Q13509 1/20 0.48
▸ TUBB2A Q13885 1/20 0.48
▸ TUBB8 Q3ZCM7 1/20 0.48
▸ TUBA3E Q6PEY2 1/20 0.48
▸ TUBA1A Q71U36 1/20 0.48

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 0.94 METAP2 (0.52) MAPTTP53PTK2METAP2GPBAR1
SCHEMBL28376533 0.94 METAP2 (0.59) MAPTTP53PTK2METAP2USP2
SCHEMBL28371824 0.93 TP53 (0.53) MAPTTP53PTK2METAP2GPBAR1
SCHEMBL28371820 0.92 METAP2 (0.51) MAPTTP53PTK2METAP2GPBAR1
SCHEMBL28375380 0.92 ALDH1A1 (0.55) MAPTTP53PTK2METAP2GPBAR1
SCHEMBL28374960 0.92 METAP2 (0.51) MAPTTP53PTK2METAP2GPBAR1
SCHEMBL28376474 0.86 MAPK1 (0.54) MAPTTP53METAP2GPBAR1USP2
SCHEMBL28376572 0.86 TERT (0.60) MAPTTP53PTK2METAP2GPBAR1
SCHEMBL28372567 0.84 SMN1; SMN2 (0.53) MAPTTP53METAP2GPBAR1USP2
SCHEMBL28375282 0.83 USP2 (0.50) MAPTTP53PTK2USP2MAPK1

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
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