SCHEMBL19249341

SCHEMBL19249341

CC(C)(C)OC(=O)Nc1ccccc1COc1cc(Br)cc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.42
TDO2 P48775 9/20 0.42
FBP1 P09467 2/20 0.40
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 1/20 0.38
PTGER1 P34995 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
DHPS P49366 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSL P07711 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
SCHEMBL19249079 0.76 IDO1 (0.45) IDO1TDO2MAPK1MAPTSMN1; SMN2
SCHEMBL27376604 0.75 CA12 (0.43) IDO1TDO2
SCHEMBL19249080 0.74 IDO1 (0.51) IDO1TDO2
SCHEMBL21552096 0.72 DHPS (0.62) RXFP1DHPSSMN1; SMN2
SCHEMBL30797862 0.72 IDO1 (0.42) IDO1TDO2
SCHEMBL16845740 0.71 PTGER1 (0.46) MAPK1CYP2C9PTGER1MAPT
SCHEMBL470163 0.70 TDO2 (0.50) IDO1TDO2FBP1
SCHEMBL19249081 0.70 MAPT (0.46) IDO1TDO2CYP2C9MAPTSMN1; SMN2
SCHEMBL19248986 0.69 CCR5 (0.48) IDO1TDO2MAPTSMN1; SMN2
SCHEMBL19249340 0.69 PTGER1 (0.37) IDO1TDO2FBP1MAPK1PTGER1

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-2017133258-A1 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR 西华大学 2017-08-10 WO disclosed