SCHEMBL29039713

SCHEMBL29039713

COc1cccc2c(C(C)(C)C)c(-c3ccccc3)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 13/20 0.55
TUBB P07437 13/20 0.55
TUBA3C P0DPH7 13/20 0.55
TUBA1B P68363 13/20 0.55
TUBA4A P68366 13/20 0.55
TUBB4B P68371 13/20 0.55
TUBB3 Q13509 13/20 0.55
TUBB2A Q13885 13/20 0.55
TUBB8 Q3ZCM7 13/20 0.55
TUBA3E Q6PEY2 13/20 0.55
TUBA1A Q71U36 13/20 0.55
TUBA1C Q9BQE3 13/20 0.55
TUBB6 Q9BUF5 13/20 0.55
TUBB2B Q9BVA1 13/20 0.55
TUBB1 Q9H4B7 13/20 0.55
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL29039704 0.80 FEN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29039711 0.79 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13024122 0.74 ESR1 (0.60) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL28325027 0.71 KDM4E (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29039709 0.70 PTGS2 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6534525 0.68 CYP1A1 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL896249 0.67 KDM4E (0.58) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL29446056 0.67 KDM4E (0.58) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL3438872 0.67 CA1 (0.52) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL15775406 0.67 TNKS (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082214-A 2-aryl-3-tert-butylindole compound, preparation method and application thereof 常州大学 2023-05-09 CN disclosed