SCHEMBL4301102

SCHEMBL4301102

CC(O)Cc1ccc2nc(C(=O)O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
SCN9A Q15858 5/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
DHODH Q02127 1/20 0.35

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
SCHEMBL31688776 0.81 PKM (0.55) MGAMKMT2AMEN1CYP1A2KDM4E
SCHEMBL4302007 0.81 MGAM (0.42) MGAMSCN9AITGB1ITGAVHCAR2
SCHEMBL15045025 0.78 MGAM (0.51) MGAMKMT2AMEN1KDM4ENPC1
SCHEMBL10080449 0.75 ALDH1A1 (0.52) MGAMKMT2AMEN1CYP1A2KDM4E
SCHEMBL1643663 0.75 MGAM (0.51) MGAMSCN9AKMT2AMEN1NR1H4
SCHEMBL9126436 0.75 GRIN2D (0.61) KMT2AMEN1NR1H4GRIN2DGRIN2A
SCHEMBL9176689 0.75 HTR2A (0.53) KMT2AMEN1CYP1A2CYP2C9AKR1C3
SCHEMBL6937399 0.75 MGAM (0.47) MGAMKMT2AMEN1CYP1A2KDM4E
SCHEMBL4304834 0.73 NQO1 (0.51) SCN9AKDM4EALDH1A1
SCHEMBL4309914 0.73 MGAM (0.46) MGAMSCN9AKMT2AMEN1NR1H4

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
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed