SCHEMBL5814880

SCHEMBL5814880

Cc1cccc(C2CC(=O)NC2=O)c1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.58
DDB1 Q16531 1/20 0.54
CRBN Q96SW2 1/20 0.54
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.45
HTR2C P28335 2/20 0.44
CYP19A1 P11511 1/20 0.44
CREBBP Q92793 2/20 0.42
BRD4 O60885 1/20 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
SCHEMBL2529914 0.86 DDB1 (0.71) IDO1DDB1CRBNLMNAKDM4E
SCHEMBL9387969 0.73 IDO1 (1.00) IDO1DDB1CRBNLMNAHSD17B10
SCHEMBL4429629 0.73 IDO1 (0.58) IDO1LMNAALDH1A1TP53CYP19A1
SCHEMBL28972311 0.72 IDO1 (0.61) IDO1LMNAALDH1A1TP53
SCHEMBL30325218 0.72 IDO1 (0.61) IDO1DDB1CRBNLMNACYP19A1
SCHEMBL6918058 0.72 IDO1 (0.61) IDO1DDB1CRBNLMNAALDH1A1
SCHEMBL5323542 0.72 IDO1 (0.61) IDO1LMNAALDH1A1
SCHEMBL9818019 0.72 IDO1 (0.61) IDO1DDB1CRBNLMNAALDH1A1
SCHEMBL29011873 0.72 IDO1 (0.60) IDO1DDB1CRBNLMNACYP19A1
Bromide SCHEMBL28839335 0.72 IDO1 (0.97) IDO1DDB1CRBNLMNAHSD17B10

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
WO-2006122035-A2 METHOD FOR TREATING CENTRAL PAIN SYNDROME OR FOR INDUCING CENTRALLY GENERATED PAIN IN AN ANIMAL MODEL UNIVERSITY OF MARYLAND, BALTIMORE (US) 2006-11-16 WO disclosed