SCHEMBL6003796

SCHEMBL6003796

COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c(C(=O)ON(C)C)[nH]c4ccc(Cl)cc34)oc2c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL30932949 0.92 SMN1; SMN2 (0.39) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL3258035 0.92 SMN1; SMN2 (0.39) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL14140118 0.91 SMN1; SMN2 (0.40) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL3250064 0.90 SMN1; SMN2 (0.38) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
Dimethylamine SCHEMBL6003803 0.90 MEN1 (0.44) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL3250062 0.87 MEN1 (0.38) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL3256001 0.86 SMN1; SMN2 (0.38) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL3255329 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL3254522 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL3258152 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR

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-1651639-A1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS Arpida AG, (CH) 2006-05-03 EP claimed
WO-2005005418-A1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS ARPIDA AG (CH) 2005-01-20 WO claimed