SCHEMBL28371229

SCHEMBL28371229

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.52
▸ TP53 P04637 3/20 0.49
▸ TERT O14746 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TUBB4A P04350 2/20 0.48
▸ TUBB P07437 2/20 0.48
▸ TUBA3C P0DPH7 2/20 0.48
▸ TUBA1B P68363 2/20 0.48
▸ TUBA4A P68366 2/20 0.48
▸ TUBB4B P68371 2/20 0.48
▸ TUBB3 Q13509 2/20 0.48
▸ TUBB2A Q13885 2/20 0.48
▸ TUBB8 Q3ZCM7 2/20 0.48
▸ TUBA3E Q6PEY2 2/20 0.48
▸ TUBA1A Q71U36 2/20 0.48
▸ TUBA1C Q9BQE3 2/20 0.48
▸ TUBB6 Q9BUF5 2/20 0.48
▸ TUBB2B Q9BVA1 2/20 0.48
▸ TUBB1 Q9H4B7 2/20 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
SCHEMBL28371334 0.94 MAPT (0.54) METAP2TP53TERTPTK2SMN1; SMN2
SCHEMBL28376533 0.94 METAP2 (0.59) METAP2TP53TERTPTK2SMN1; SMN2
SCHEMBL28371824 0.93 TP53 (0.53) METAP2TP53TERTPTK2SMN1; SMN2
SCHEMBL28375380 0.92 ALDH1A1 (0.55) METAP2TP53TERTPTK2SMN1; SMN2
SCHEMBL28374960 0.92 METAP2 (0.51) METAP2TP53TERTPTK2SMN1; SMN2
SCHEMBL28371820 0.92 METAP2 (0.51) METAP2TP53TERTPTK2SMN1; SMN2
SCHEMBL28375310 0.88 ALDH1A1 (0.54) METAP2TP53SMN1; SMN2TUBB4ATUBB
SCHEMBL28885469 0.84 TP53 (0.48) METAP2TP53SMN1; SMN2TUBB4ATUBB
SCHEMBL28372567 0.84 SMN1; SMN2 (0.53) METAP2TP53TERTSMN1; SMN2TUBB4A
SCHEMBL28377410 0.82 NPSR1 (0.57) METAP2TP53SMN1; SMN2TUBB4ATUBB

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 2 patents. 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 claimed
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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