SCHEMBL2931720

SCHEMBL2931720

CCC(CC)c1cc(C)nc2c(-c3sc(-c4ncnn4C)nc3C)c(C)nn12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRHR1 P34998 10/20 0.32

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
SCHEMBL2497119 0.91 HPGD (0.35) HPGDPOLBMEN1KMT2AALOX15
SCHEMBL2493424 0.91 HPGD (0.34) HPGDPOLBMEN1KMT2AALOX15
SCHEMBL2494028 0.86 HPGD (0.35) HPGDPOLBMEN1KMT2AALOX15
SCHEMBL2495431 0.84 HPGD (0.33) HPGDPOLBKDM4EALDH1A1MAPT
SCHEMBL22335453 0.84 HPGD (0.34) HPGDPOLBMEN1KMT2AKDM4E
SCHEMBL545488 0.83 MEN1 (0.37) HPGDPOLBMEN1KMT2AALOX15
SCHEMBL2931270 0.80 HPGD (0.39) HPGDPOLBMEN1KMT2AALOX15
SCHEMBL2495097 0.78 CRHR1 (0.35) HPGDPOLBKDM4EALDH1A1MAPT
SCHEMBL22958812 0.77 HPGD (0.35) HPGDPOLBMEN1KMT2AALOX15
SCHEMBL2930712 0.77 CRHR1 (0.39) HPGDPOLBMEN1KMT2AALOX15

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-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP disclosed