SCHEMBL13639470

SCHEMBL13639470

Cl/C=C/c1ccc(Br)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
P4HTM Q9NXG6 1/20 0.32
NFE2L2 Q16236 3/20 0.31

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
SCHEMBL6229647 0.80 CYP11B1 (0.33) CYP11B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27433982 0.80 LMNA (0.39) CYP11B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13768482 0.80 CHRNB2 (0.35) CYP11B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22930174 0.80 LMNA (0.39) CYP11B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6852107 0.77 ALDH1A1 (0.45) CYP11B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6273189 0.77 ALDH1A1 (0.45) CYP11B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6273420 0.77 ALDH1A1 (0.46) CYP11B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3776771 0.77 NFE2L2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3776773 0.77 NFE2L2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL225774 0.75 TUBB4A (0.39) CYP11B1TUBB4ATUBBTUBA3CTUBA1B

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
EP-2234993-B1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2012-11-07 EP disclosed