SCHEMBL7669559

SCHEMBL7669559

COc1cc[c]c(CCc2ccc(Br)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38

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
SCHEMBL7669645 0.86 MAOB (0.44) MAOBMAPTRAB9AL3MBTL1CYP19A1
SCHEMBL7676584 0.84 HTT (0.40) KMT2AGAAMAPTCYP19A1TUBB4A
SCHEMBL7400862 0.80 DRD2 (0.35) MAPTCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL7670255 0.78 ALDH1A1 (0.43) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7675265 0.77 LTA4H (0.50) MAOBMEN1KMT2ATUBB4ATUBB
SCHEMBL7671685 0.76 GAA (0.47) MAOBMEN1KMT2AGAARAB9A
SCHEMBL1991025 0.75 MEN1 (0.61) MAOBMEN1KMT2ANPC1GAA
SCHEMBL7671780 0.75 TUBB4A (0.45) MAOBRAB9ACYP19A1TUBB4ATUBB
SCHEMBL7386695 0.75 CYP2D6 (0.41) NPC1MAPTRAB9ACYP19A1CALM1
SCHEMBL8917172 0.75 TAAR1 (0.36) TAAR1CYP1A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395730-B1 CARDIOVASCULAR DISORDERS ICAGEN, INC. 2002-05-28 US disclosed
US-6174908-B1 TREATING DISEASE, CONDITION, OR DISORDER WHICH RESPONDS TO INHIBITION OF POTASSIUM CHANNEL FUNCTION BY ADMINISTERING THIAZOLIDONE OR METATHIAZONONE COMPOUND, ITS SALT, AMIDE, ESTER, COMPLEX, CHELATE, HYDRATE, STEREOISOMER, METABOLITE ICAGEN, INC. 2001-01-16 US disclosed