SCHEMBL2445358

SCHEMBL2445358

COc1cc(CCCO)cc(OC)c1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.66
PDE4D Q08499 6/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
FASN P49327 1/20 0.40

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
SCHEMBL2445118 0.88 TNKS2 (0.50) TNKS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2914283 0.82 TNKS2 (0.86) TNKS2PDE4DTUBB4ATUBBTUBA3C
SCHEMBL2007007 0.82 TNKS2 (0.68) TNKS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28346720 0.81 HTR2A (0.53) TNKS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL17295146 0.80 TNKS2 (0.60) TNKS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL918659 0.79 HSD17B10 (0.51) TNKS2PDE4DPOLB
SCHEMBL13908971 0.78 TNKS2 (0.62) TNKS2PDE4DTUBB4ATUBBTUBA3C
SCHEMBL22609994 0.78 TNKS2 (0.62) TNKS2PDE4DTUBB4ATUBBTUBA3C
SCHEMBL2442396 0.78 ALDH1A1 (0.50) TNKS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL81112 0.77 KDM4E (0.63) TNKS2TUBB4ATUBBTUBA3CTUBA1B

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-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed