SCHEMBL3367686

SCHEMBL3367686

CCOC(=O)c1sc(-c2cc(Br)ccc2O)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.55
DBF4 Q9UBU7 4/20 0.55
MAPT P10636 6/20 0.54
KDM4E B2RXH2 5/20 0.54
DHODH Q02127 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
TRPM8 Q7Z2W7 6/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3371972 0.83 SMN1; SMN2 (0.52) MAPTKDM4ENPSR1ALDH1A1SMN1; SMN2
SCHEMBL3370278 0.82 TRPM8 (0.58) CDC7DBF4MAPTKDM4EALDH1A1
SCHEMBL299133 0.82 LMNA (0.63) CDC7DBF4MAPTKDM4EDHODH
SCHEMBL4464882 0.81 CDC7 (0.73) CDC7DBF4MAPTKDM4EDHODH
SCHEMBL455876 0.81 CDC7 (0.62) CDC7DBF4MAPTKDM4EDHODH
SCHEMBL12186978 0.78 CDC7 (0.64) CDC7DBF4MAPTKDM4EDHODH
SCHEMBL289602 0.78 KDM4E (0.62) CDC7DBF4MAPTKDM4EDHODH
SCHEMBL12034449 0.77 CDC7 (0.69) CDC7DBF4MAPTKDM4ENPSR1
SCHEMBL290384 0.77 CDC7 (0.75) CDC7DBF4MAPTKDM4EALDH1A1
SCHEMBL14109861 0.76 KDM4E (0.60) CDC7DBF4MAPTKDM4EDHODH

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed