SCHEMBL3370278

SCHEMBL3370278

CCOC(=O)c1sc(-c2cc(-c3ccccc3)ccc2O)nc1C

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.58
CDC7 O00311 5/20 0.58
DBF4 Q9UBU7 5/20 0.58
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 4/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
KIFC1 Q9BW19 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3367949 0.86 SMN1; SMN2 (0.65) LMNAALDH1A1KDM4EMAPTGAA
SCHEMBL289229 0.85 CDC7 (0.73) TRPM8CDC7DBF4LMNAALDH1A1
SCHEMBL299133 0.84 LMNA (0.63) TRPM8CDC7DBF4LMNAALDH1A1
SCHEMBL1316281 0.83 CDC7 (0.77) TRPM8CDC7DBF4LMNAALDH1A1
SCHEMBL3367686 0.82 CDC7 (0.55) TRPM8CDC7DBF4LMNAALDH1A1
SCHEMBL290254 0.81 TRPM8 (0.56) TRPM8CDC7DBF4LMNAALDH1A1
SCHEMBL289996 0.80 CDC7 (0.65) TRPM8CDC7DBF4LMNAALDH1A1
SCHEMBL12186978 0.80 CDC7 (0.64) TRPM8CDC7DBF4LMNAALDH1A1
SCHEMBL289894 0.78 ALDH1A1 (0.63) TRPM8CDC7DBF4LMNAALDH1A1
SCHEMBL455876 0.78 CDC7 (0.62) TRPM8CDC7DBF4LMNAALDH1A1

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