SCHEMBL27821920

SCHEMBL27821920

CNC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(OC(=O)c3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.48
TUBB P07437 5/20 0.48
TUBA3C P0DPH7 5/20 0.48
TUBA1B P68363 5/20 0.48
TUBA4A P68366 5/20 0.48
TUBB4B P68371 5/20 0.48
TUBB3 Q13509 5/20 0.48
TUBB2A Q13885 5/20 0.48
TUBB8 Q3ZCM7 5/20 0.48
TUBA3E Q6PEY2 5/20 0.48
TUBA1A Q71U36 5/20 0.48
TUBA1C Q9BQE3 5/20 0.48
TUBB6 Q9BUF5 5/20 0.48
TUBB2B Q9BVA1 5/20 0.48
TUBB1 Q9H4B7 5/20 0.48
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
MTNR1A P48039 2/20 0.41

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
SCHEMBL1936500 0.80 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1935055 0.77 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2465509 0.76 CXCR2 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2464972 0.75 IMPDH2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11125622 0.71 KMT2A (0.59) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL31312750 0.69 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2464842 0.69 KMT2A (0.65) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL6295747 0.68 ABCG2 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22541411 0.68 LIMK1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29803789 0.67 TLR8 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102209711-B Compounds for the treatment of hepatitis C BRISTOL MYERS SQUIBB CO 2014-06-18 CN disclosed
CN-103864783-A Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO 2014-06-18 CN disclosed
CN-102906089-A Compounds for the treatment of hepatitis C BRISTOL MYERS SQUIBB CO 2013-01-30 CN disclosed
CN-102209711-A Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO 2011-10-05 CN disclosed