SCHEMBL4036659

SCHEMBL4036659

COc1cc(C=O)c(-c2cc(-c3ccco3)ccc2-n2cncn2)c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
GRM7 Q14831 5/20 0.39
IMPDH2 P12268 1/20 0.36
TUBB4A P04350 6/20 0.35
TUBB P07437 6/20 0.35
TUBA3C P0DPH7 6/20 0.35
TUBA1B P68363 6/20 0.35
TUBA4A P68366 6/20 0.35
TUBB4B P68371 6/20 0.35
TUBB3 Q13509 6/20 0.35
TUBB2A Q13885 6/20 0.35
TUBB8 Q3ZCM7 6/20 0.35
TUBA3E Q6PEY2 6/20 0.35
TUBA1A Q71U36 6/20 0.35
TUBA1C Q9BQE3 6/20 0.35
TUBB6 Q9BUF5 6/20 0.35
TUBB2B Q9BVA1 6/20 0.35
TUBB1 Q9H4B7 6/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4223184 0.93 ERN1 (0.41) ERN1GRM7IMPDH2TUBB4ATUBB
SCHEMBL4215106 0.86 ERN1 (0.42) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4212113 0.85 GRM7 (0.42) GRM7IMPDH2TUBB4ATUBBTUBA3C
SCHEMBL4210193 0.84 GRM7 (0.41) ERN1GRM7TUBB4ATUBBTUBA3C
SCHEMBL4208946 0.84 ERN1 (0.41) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4219117 0.84 ERN1 (0.41) ERN1GRM7TUBB4ATUBBTUBA3C
SCHEMBL4035877 0.82 ERN1 (0.43) ERN1GRM7IMPDH2TUBB4ATUBB
SCHEMBL15226080 0.81 ERN1 (0.52) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4215108 0.80 GRM7 (0.41) GRM7IMPDH2TUBB4ATUBBTUBA3C
SCHEMBL4036525 0.79 ERN1 (0.55) ERN1TUBB4ATUBBTUBA3CTUBA1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP claimed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO claimed
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO disclosed