SCHEMBL11088526

SCHEMBL11088526

CC(=O)c1c(-c2c(C)noc2C)[nH]c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
BTK Q06187 1/20 0.42
BRD2 P25440 1/20 0.41
CREBBP Q92793 1/20 0.41
FTO Q9C0B1 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL10989413 0.87 BRD4 (0.42) BRD4HTR2AHTR2CPTGDR2BTK
SCHEMBL11079151 0.86 NPC1 (0.40) BRD4HTR2AHTR2CPTGDR2TUBB4A
SCHEMBL10989873 0.85 BRD4 (0.43) BRD4HTR2AHTR2CPTGDR2BTK
SCHEMBL10832434 0.85 GAA (0.47) BRD4PTGDR2TUBB4ATUBBTUBA3C
SCHEMBL11080541 0.84 BRD4 (0.42) BRD4HTR2AHTR2CPTGDR2BTK
SCHEMBL10924753 0.84 BRD4 (0.47) BRD4BRD2CREBBP
SCHEMBL10982627 0.82 BRD4 (0.43) BRD4HTR2AHTR2CPTGDR2BTK
SCHEMBL10984221 0.75 NPC1 (0.39) BRD4HTR2AHTR2CBRD2CSF1R
SCHEMBL10977438 0.75 CSF1R (0.37) BRD4HTR2AHTR2CPTGDR2BRD2
SCHEMBL10951500 0.74 BRD4 (0.40) BRD4HTR2AHTR2CPTGDR2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4467096-A ANTIDIABETIC AGENTS, INTERMEDIATES THEREFOR SANDOZ, INC. (US) 1984-08-21 US disclosed
US-4421752-A ANTIDIABETIC AGENT SANDOZ, INC. (US) 1983-12-20 US disclosed
US-4336391-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 US disclosed