SCHEMBL28371820

SCHEMBL28371820

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 3/20 0.51
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TERT O14746 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 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
SCHEMBL28371334 0.92 MAPT (0.54) METAP2CYP3A4TERTPTK2SMN1; SMN2
SCHEMBL28371229 0.92 METAP2 (0.52) METAP2CYP3A4TERTPTK2SMN1; SMN2
SCHEMBL28376533 0.92 METAP2 (0.59) METAP2CYP3A4TERTPTK2SMN1; SMN2
SCHEMBL28371824 0.91 TP53 (0.53) METAP2CYP3A4CYP2C9TERTPTK2
SCHEMBL28375380 0.90 ALDH1A1 (0.55) METAP2CYP3A4TERTPTK2SMN1; SMN2
SCHEMBL28374960 0.90 METAP2 (0.51) METAP2CYP3A4TERTPTK2SMN1; SMN2
SCHEMBL28372113 0.89 ALDH1A1 (0.52) METAP2CYP3A4CYP2C9TUBB4ATUBB
SCHEMBL28371356 0.86 CYP3A4 (0.65) METAP2CYP3A4CYP2C9TERTPTK2
SCHEMBL28375104 0.85 ALDH1A1 (0.45) METAP2CYP3A4CYP2C9PTK2TUBB4A
SCHEMBL28371587 0.84 CYP3A4 (0.52) METAP2CYP3A4CYP2C9TERTSMN1; SMN2

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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