SCHEMBL4871667

SCHEMBL4871667

CCOC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)n1cccc1C(F)(F)F

nearest known ligand 0.46

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
LMNA P02545 3/20 0.43
HIF1A Q16665 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL4920737 0.82 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2876735 0.77 LMNA (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3602053 0.77 LMNA (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3615857 0.76 LMNA (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2924216 0.75 SMN1; SMN2 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7921819 0.72 ALDH1A1 (0.53) LMNAHIF1AKDM4EALDH1A1MEN1
SCHEMBL3011731 0.71 ALDH1A1 (0.69) LMNAHIF1AKDM4EALDH1A1MEN1
SCHEMBL7556498 0.70 ALDH1A1 (0.54) LMNAHIF1AKDM4EALDH1A1MEN1
SCHEMBL3607358 0.70 LMNA (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL333829 0.70 ALOX15 (0.62) LMNAHIF1AKDM4EALDH1A1MEN1

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
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO claimed