SCHEMBL28080953

SCHEMBL28080953

COc1ccc(C2=C(c3ccc(OC)cc3)C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL28831869 0.87 NR1H2 (0.50) MEN1KMT2AMAPTNR1H2NR1H3
SCHEMBL30320663 0.80 NR1H2 (0.71) MEN1KMT2ANR1H2NR1H3
SCHEMBL28080906 0.77 NR1H2 (0.71) MEN1KMT2ANR1H2NR1H3
SCHEMBL6429547 0.72 CMA1 (0.54) MEN1KMT2AALDH1A1MAPTNR1H2
SCHEMBL394344 0.72 SMN1; SMN2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19555124 0.71 NR1H2 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL29644698 0.71 PTGS2 (0.53) MEN1KMT2AALDH1A1MAPTNR1H2
SCHEMBL9037803 0.70 CYP19A1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14097284 0.69 FYN (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9183359 0.69 TUBB4A (0.73) 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-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 CN disclosed