SCHEMBL27173136

SCHEMBL27173136

COc1cc(-c2nnc(SCC(=O)c3ccc(C)cc3)n2N)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.73
▸ TUBB P07437 2/20 0.73
▸ TUBA3C P0DPH7 2/20 0.73
▸ TUBA1B P68363 2/20 0.73
▸ TUBA4A P68366 2/20 0.73
▸ TUBB4B P68371 2/20 0.73
▸ TUBB3 Q13509 2/20 0.73
▸ TUBB2A Q13885 2/20 0.73
▸ TUBB8 Q3ZCM7 2/20 0.73
▸ TUBA3E Q6PEY2 2/20 0.73
▸ TUBA1A Q71U36 2/20 0.73
▸ TUBA1C Q9BQE3 2/20 0.73
▸ TUBB6 Q9BUF5 2/20 0.73
▸ TUBB2B Q9BVA1 2/20 0.73
▸ TUBB1 Q9H4B7 2/20 0.73
▸ ALDH1A1 P00352 7/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ TSHR P16473 3/20 0.60
▸ MAPT P10636 5/20 0.56
▸ CYP1A2 P05177 2/20 0.56

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
SCHEMBL16675473 0.79 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2MAPTPOLBHPGD
SCHEMBL4211692 0.77 KMT2A (0.66) ALDH1A1SMN1; SMN2TSHRMAPTCYP1A2
SCHEMBL16675484 0.74 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16681840 0.73 LMNA (0.63) ALDH1A1SMN1; SMN2TSHRMAPTPOLB
SCHEMBL29642719 0.73 ALDH1A1 (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4348643 0.72 MAPT (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4348305 0.71 TP53 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14606122 0.70 LMNA (0.84) ALDH1A1SMN1; SMN2TSHRMAPTPOLB
SCHEMBL16675455 0.70 L3MBTL1 (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4344836 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRMAPTHPGD

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
EP-3959200-B1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION ANADOLU UNIV (TR) 2024-03-20 — — EP disclosed
EP-3959200-A1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION Anadolu Universitesi (TR) 2022-03-02 — — EP disclosed
Send feedback