SCHEMBL2545860

SCHEMBL2545860

COc1ccc2[nH]c(-c3cccs3)c(Sc3cc(OC)c(OC)c(OC)c3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 20/20 0.80
TUBB P07437 20/20 0.80
TUBA3C P0DPH7 20/20 0.80
TUBA1B P68363 20/20 0.80
TUBA4A P68366 20/20 0.80
TUBB4B P68371 20/20 0.80
TUBB3 Q13509 20/20 0.80
TUBB2A Q13885 20/20 0.80
TUBB8 Q3ZCM7 20/20 0.80
TUBA3E Q6PEY2 20/20 0.80
TUBA1A Q71U36 20/20 0.80
TUBA1C Q9BQE3 20/20 0.80
TUBB6 Q9BUF5 20/20 0.80
TUBB2B Q9BVA1 20/20 0.80
TUBB1 Q9H4B7 20/20 0.80

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
SCHEMBL2551209 0.89 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8995335 0.77 ALOX5 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5808205 0.73 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5808169 0.70 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2551998 0.70 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2545689 0.69 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28456102 0.68 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12284987 0.66 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7035552 0.65 PTGS2 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13436536 0.65 MTNR1A (0.71)

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
WO-2011121629-A1 INDOLIC DERIVATIVES AND USE THEREOF IN MEDICAL FIELD UNIVERSITA' DEGLI STUDI DL ROMA "LA SAPIENZA" (IT) 2011-10-06 WO disclosed
WO-2011121629-A1 INDOLIC DERIVATIVES AND USE THEREOF IN MEDICAL FIELD UNIVERSITA' DEGLI STUDI DL ROMA "LA SAPIENZA" (IT) 2011-10-06 WO disclosed