SCHEMBL328392

SCHEMBL328392

Cc1ccc(Oc2ccc(O)c(O)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 7/20 0.46
PTPN1 P18031 1/20 0.45
TRPA1 O75762 1/20 0.44
POLB P06746 3/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.42
PPARG P37231 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
BRCA1 P38398 1/20 0.39
HBB P68871 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL12734153 0.86 KDM4E (0.47) RAB9ANPC1KDM4EPOLBMEN1
SCHEMBL4597506 0.84 KDM4E (0.54) RAB9ANPC1KDM4EPOLBMEN1
SCHEMBL8737052 0.80 KDM4E (0.66) RAB9ANPC1KDM4EPOLBMEN1
SCHEMBL8736734 0.77 KDM4E (0.57) RAB9ANPC1KDM4EPOLBMEN1
SCHEMBL21581572 0.77 DRD1 (0.45) NPC1KDM4EPTPN1TRPA1POLB
SCHEMBL8736869 0.77 HAO1 (0.51) RAB9ANPC1KDM4EPOLBMEN1
SCHEMBL13183652 0.76 ALDH1A1 (0.51) RAB9ANPC1KDM4EPOLBMEN1
SCHEMBL23952709 0.75 KDM4E (0.46) RAB9ANPC1KDM4EPOLBMEN1
SCHEMBL4598049 0.75 KDM4E (0.56) RAB9ANPC1KDM4EPOLBMEN1
SCHEMBL17354612 0.74 KDM4E (0.44) RAB9ANPC1KDM4EPOLBMEN1

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
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed