SCHEMBL7659425

SCHEMBL7659425

COc1ccc(-c2cc(C(N)=O)cc3ccc4c(c23)OCO4)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CHEK2 O96017 3/20 0.41
CHEK1 O14757 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
MAP4K4 O95819 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP11B1 P15538 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
SCHEMBL7656725 0.90 NR4A2 (0.45) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7662193 0.86 ABL1 (0.44) SMN1; SMN2CHEK2CHEK1
SCHEMBL7652482 0.85 CHEK2 (0.47) PLAUNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7659665 0.81 GRM2 (0.54) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7681510 0.81 BACE1 (0.43) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7656847 0.76 AURKA (0.46) SMN1; SMN2ALDH1A1
SCHEMBL7656191 0.76 CFTR (0.47) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7652092 0.74 ALDH1A1 (0.50) KDM4EALDH1A1HPGD
SCHEMBL7658391 0.73 MAPT (0.45) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7657293 0.73 UCHL1 (0.46) PLAUNPC1RAB9AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed