SCHEMBL19954351

SCHEMBL19954351

CCCCCc1ccc2c(c1)nnn2C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HCAR3 P49019 3/20 0.45
SLC9A1 P19634 4/20 0.43
KEAP1 Q14145 1/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
PLA2G4A P47712 1/20 0.42
TLR8 Q9NR97 3/20 0.41

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
SCHEMBL13862926 0.89 HPGD (0.49) HPGDKDM4EALDH1A1HSD17B10HCAR3
SCHEMBL10287998 0.82 HCAR3 (0.51) HPGDKDM4EALDH1A1HSD17B10HCAR3
SCHEMBL6765781 0.78 CTNNB1 (0.41) HCAR3SLC9A1HSD11B1LMNAPLA2G4A
SCHEMBL20672106 0.78 POLB (0.46) HPGDKDM4EALDH1A1HSD17B10HCAR3
SCHEMBL9969405 0.78 POLB (0.48) HPGDKDM4EALDH1A1HSD17B10HCAR3
SCHEMBL10957998 0.77 PLA2G4A (0.47) HCAR3SLC9A1RORARORCRORB
SCHEMBL12204543 0.77 HCAR3 (0.54) HPGDKDM4EALDH1A1HSD17B10HCAR3
SCHEMBL16406900 0.77 HCAR3 (0.44) HPGDKDM4EALDH1A1HSD17B10HCAR3
SCHEMBL904701 0.77 HCAR3 (0.50) HPGDKDM4EALDH1A1HSD17B10HCAR3
SCHEMBL3330921 0.77 HCAR3 (0.50) HPGDKDM4EALDH1A1HSD17B10HCAR3

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
US-9913913-B2 Method for preparing a polymeric reagent NEKTAR THERAPEUTICS (US) 2018-03-13 US disclosed