SCHEMBL13768482

SCHEMBL13768482

O/C=C/c1ccc(Br)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
P4HTM Q9NXG6 1/20 0.35
FDFT1 P37268 1/20 0.33
CYP11B1 P15538 1/20 0.33
APP P05067 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32

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
SCHEMBL13639470 0.80 CYP11B1 (0.33) CHRNB2CHRNA4P4HTMFDFT1CYP11B1
SCHEMBL6273420 0.79 ALDH1A1 (0.46) CHRNB2CHRNA4P4HTMFDFT1CYP11B1
SCHEMBL6229647 0.78 CYP11B1 (0.33) CHRNB2CHRNA4P4HTMFDFT1CYP11B1
SCHEMBL22930174 0.78 LMNA (0.39) CYP11B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL527594 0.76 P4HTM (0.64) P4HTMAPPHDAC1HDAC6HDAC3
SCHEMBL527593 0.76 P4HTM (0.64) P4HTMAPPHDAC1HDAC6HDAC3
SCHEMBL5302518 0.76 P4HTM (0.64) P4HTMAPPHDAC1HDAC6HDAC3
SCHEMBL6273189 0.75 ALDH1A1 (0.45) P4HTMFDFT1CYP11B1TUBB4ATUBB
SCHEMBL6852107 0.75 ALDH1A1 (0.45) P4HTMFDFT1CYP11B1TUBB4ATUBB
SCHEMBL15839225 0.75 CCNC (0.46) P4HTMHDAC1HDAC6HDAC3HDAC4

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
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed