SCHEMBL13375196

SCHEMBL13375196

O=C(Nc1cn(C2CCCCO2)nc1-c1nc2cc(F)c(CCO)cc2[nH]1)C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
PDPK1 O15530 3/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC3 O15379 1/20 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
SCHEMBL13375327 0.96 ABL1 (0.37) ABL1PDPK1KDM4ENPC1ALDH1A1
SCHEMBL13375182 0.89 ABL1 (0.34) ABL1PDPK1KDM4ENPC1ALDH1A1
SCHEMBL13375043 0.87 ABL1 (0.37) ABL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13375188 0.87 ABL1 (0.36) ABL1KDM4ENPC1ALDH1A1HPGD
SCHEMBL13374025 0.86 ALDH1A1 (0.39) ABL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13375199 0.86 SYK (0.39) ABL1
SCHEMBL13374024 0.82 ALDH1A1 (0.42) ABL1PDPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13375054 0.82 ABL1 (0.33) ABL1
SCHEMBL13375334 0.81 ABL1 (0.34) ABL1
SCHEMBL5951302 0.80 ALDH1A1 (0.39) ABL1KDM4EALDH1A1SMN1; SMN2MAPT

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed