SCHEMBL6579228

SCHEMBL6579228

O=CC(=O)Nc1cn(Cc2ccc(Nc3ccncc3)cc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ TUBB2A Q13885 1/20 0.53
▸ TUBB8 Q3ZCM7 1/20 0.53
▸ TUBA3E Q6PEY2 1/20 0.53
▸ TUBA1A Q71U36 1/20 0.53
▸ TUBA1C Q9BQE3 1/20 0.53
▸ TUBB6 Q9BUF5 1/20 0.53
▸ TUBB2B Q9BVA1 1/20 0.53
▸ TUBB1 Q9H4B7 1/20 0.53
▸ YES1 P07947 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45

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
SCHEMBL8807280 0.72 PTGDR2 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9054524 0.72 PTGDR2 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8806175 0.71 PTGDR2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9055814 0.71 PTGDR2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6699595 0.71 THRB (0.47) MAPTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL23625291 0.70 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5533097 0.69 PDE4A (0.38) MAPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL3166384 0.69 TUBB4A (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8804260 0.69 YES1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9055521 0.69 YES1 (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240157-B1 SUBSTITUTED N-BENZYL-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES HAVING AN ANTI-TUMORAL EFFECT ZENTARIS GMBH (DE) 2004-02-11 — — EP claimed
EP-1240157-A2 SUBSTITUTED N-BENZYL-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES HAVING AN ANTI-TUMORAL EFFECT Zentaris AG (DE) 2002-09-18 — — EP claimed
WO-2001047913-A2 SUBSTITUTED N-BENZYL-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES HAVING AN ANTI-TUMORAL EFFECT ZENTARIS AG (DE) 2001-07-05 — — WO claimed
EP-1240157-B1 SUBSTITUTED N-BENZYL-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES HAVING AN ANTI-TUMORAL EFFECT ZENTARIS GMBH (DE) 2004-02-11 — — EP disclosed
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