SCHEMBL4041644

SCHEMBL4041644

COc1ccc(-c2ccn[nH]2)cc1-c1c(C=O)cc(OC)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
SCN4A P35499 1/20 0.41
ERN1 O75460 3/20 0.39
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL4039660 0.78 ERN1 (0.49) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15225975 0.78 ERN1 (0.51) LMNAERN1
SCHEMBL15225931 0.77 ERN1 (0.53) ERN1
SCHEMBL15226172 0.77 ERN1 (0.47) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15226073 0.74 ALDH1A1 (0.48) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15226080 0.74 ERN1 (0.52) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4037099 0.73 MAPT (0.52) NPC1RAB9ALMNAERN1
SCHEMBL15226095 0.71 ERN1 (0.46) ERN1
SCHEMBL13735245 0.71 NPC1 (0.61) NPC1RAB9ALMNASCN4ANOTUM
SCHEMBL4043628 0.71 ABCB1 (0.49) LMNAERN1TUBB4ATUBBTUBA3C

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-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