SCHEMBL30635849

SCHEMBL30635849

Cc1cccc(-c2ocnc2-c2ccncc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
CSNK1D P48730 3/20 0.40
CSNK1E P49674 3/20 0.40
NR3C2 P08235 1/20 0.39
CDC7 O00311 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9956334 0.77 IMPDH2 (0.56) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL1387159 0.76 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL91416 0.74 RAB9A (0.59) MAPK14NPC1RAB9ACSNK1DCSNK1E
SCHEMBL25785269 0.73 NPC1 (0.57) MAPK14NPC1RAB9ACSNK1DCSNK1E
SCHEMBL6747565 0.71 MAPK14 (0.51) MAPK14
SCHEMBL4470256 0.71 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11NR3C2
SCHEMBL1387433 0.71 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11NR3C2
SCHEMBL3064617 0.71 MAPK14 (0.57) MAPK14NPC1RAB9ACSNK1DCSNK1E
SCHEMBL3270030 0.71 MAPK14 (0.71) MAPK14MEN1KMT2AMAPK13MAPK12
SCHEMBL6708437 0.71 MAPK14 (0.71) MAPK14RAB9AMAPK13MAPK12MAPK11

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-3500562-B1 SUBSTITUTED AZOLE DERIVATIVES FOR GENERATION, PROLIFERATION AND DIFFERENTIATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS NAT UNIV SINGAPORE (SG) 2023-11-15 EP claimed