SCHEMBL11684146

SCHEMBL11684146

COc1cc(NOS(=O)(=O)c2ccc(C)cc2)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8752454 0.82 MEN1 (0.55) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL7783915 0.75 CA12 (0.56) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8153407 0.73 ALDH1A1 (0.52) MEN1KMT2AMAPTHTTPOLB
SCHEMBL16006251 0.73 ALDH1A1 (0.48) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11782927 0.71 ALDH1A1 (0.50) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL2479530 0.71 ALDH1A1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6123746 0.70 CYP1A2 (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8311153 0.70 NQO1 (0.47) MEN1KMT2AMAPTSMN1; SMN2ANO1
SCHEMBL13658714 0.70 SMN1; SMN2 (0.47) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL10676915 0.69 PDE4A (0.44) 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
US-4056519-A TRIPEPTIDYL-4-METHOXY-2-NAPHTHYLAMIDE ELI LILLY AND COMPANY (US) 1977-11-01 US disclosed