SCHEMBL4638436

SCHEMBL4638436

COC(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
FLT3 P36888 1/20 0.50
KIF11 P52732 1/20 0.49
PTPN1 P18031 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48

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
SCHEMBL4640537 0.85 POLB (0.53) POLBMAPTALDH1A1
SCHEMBL4669960 0.81 POLB (0.51) RAB9APOLBMAPTALDH1A1
SCHEMBL4640324 0.80 POLB (0.52) POLBMAPTALDH1A1
SCHEMBL5438097 0.79 NR4A2 (0.69) MAPTPTPN1TUBB4ATUBBTUBA3C
SCHEMBL4669963 0.79 POLB (0.63) RAB9APOLBMAPTALDH1A1
SCHEMBL4638446 0.77 NPC1 (0.51) RAB9APOLBMAPTALDH1A1
SCHEMBL14367890 0.76 ALDH1A1 (0.59) POLBMAPTTUBB4ATUBBTUBA3C
SCHEMBL16146240 0.76 POLB (0.63) POLBMAPTALDH1A1
SCHEMBL4553530 0.76 TUBB4A (0.55) POLBMAPTFLT3TUBB4ATUBB
SCHEMBL11924475 0.76 RAB9A (1.00) RAB9AMAPT

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-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed