SCHEMBL367569

SCHEMBL367569

CC(=O)c1ccc2c(C(C)=O)c3ccccc3n2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.46
EGFR P00533 3/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 3/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 1/20 0.36
CREBBP Q92793 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL366876 0.91 EGFR (0.44) SRCEGFRALDH1A1HPGDPOLB
SCHEMBL367330 0.89 EGFR (0.46) SRCEGFRALDH1A1HPGDPOLB
Potassium Ion SCHEMBL364867 0.88 ALDH1A1 (0.40) SRCEGFRALDH1A1HPGDPOLB
SCHEMBL366442 0.87 ALDH1A1 (0.42) SRCEGFRALDH1A1HPGDPOLB
SCHEMBL364281 0.87 NR4A2 (0.48) SRCEGFRALDH1A1POLBKMT2A
SCHEMBL364389 0.86 ALDH1A1 (0.48) SRCEGFRALDH1A1HPGDPOLB
SCHEMBL364770 0.83 ELANE (0.48) ALDH1A1HPGDKMT2AKDM4EMAPT
SCHEMBL366838 0.83 ALDH1A1 (0.41) SRCEGFRALDH1A1HPGDKMT2A
SCHEMBL367619 0.82 ALDH1A1 (0.39) ALDH1A1HPGD
SCHEMBL366978 0.82 SCN9A (0.45) ALDH1A1HPGDKDM4E

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed