SCHEMBL4044331

SCHEMBL4044331

COc1ccc(-c2ccc([N+](=O)[O-])c(-c3[c]cc(OC)c(OC)c3OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.42
CHEK1 O14757 4/20 0.42
HTR7 P34969 1/20 0.41
ABCC1 P33527 3/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL15226066 0.75 ALDH1A1 (0.47) ABCB1CHEK1HTR7ABCC1ALDH1A1
SCHEMBL28334181 0.75 CA12 (0.39) ALDH1A1KMT2A
SCHEMBL12312144 0.72 PDGFRB (0.57) ABCB1HTR7ALDH1A1NPC1RAB9A
SCHEMBL4516680 0.72 ALDH1A1 (0.43) ABCB1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1663978 0.72 ALDH1A1 (0.54) ABCB1HTR7ALDH1A1NPC1RAB9A
SCHEMBL1307865 0.69 ABCB1 (0.52) ABCB1HTR7ABCC1NPC1RAB9A
SCHEMBL1299335 0.69 SMN1; SMN2 (0.50) ABCB1CHEK1HTR7ABCC1ALDH1A1
SCHEMBL28874514 0.69 ALOX5 (0.57) ABCB1HTR7ABCC1ALDH1A1NPC1
SCHEMBL4330380 0.69 MAPT (0.56) ABCB1HTR7ALDH1A1NPC1RAB9A
SCHEMBL1308130 0.68 ABCB1 (0.58) ABCB1ABCC1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066632-B1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARM CORP (KR) 2013-09-04 EP disclosed
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP disclosed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO disclosed