SCHEMBL28375782

SCHEMBL28375782

Nc1cc(C(=O)O)cc2ccccc12.Nc1cc2ccccc2cc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.70
PTPN1 P18031 1/20 0.47
GPR35 Q9HC97 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL343609 0.89 ALDH1A1 (0.52) IDO1PTPN1MEN1KMT2AALDH1A1
SCHEMBL197490 0.83 IDO1 (1.00) IDO1PTPN1GPR35POLBMEN1
SCHEMBL29475880 0.83 IDO1 (1.00) IDO1PTPN1GPR35POLBMEN1
SCHEMBL8006518 0.83 IDO1 (1.00) IDO1PTPN1GPR35POLBMEN1
SCHEMBL8960584 0.77 IDO1 (0.67) IDO1PTPN1POLBMEN1KMT2A
SCHEMBL70654 0.77 PTPN1 (0.65) PTPN1GPR35POLBMEN1KMT2A
SCHEMBL29406969 0.77 PTPN1 (0.65) PTPN1GPR35POLBMEN1KMT2A
SCHEMBL8003432 0.76 IDO1 (0.70) IDO1GPR35POLBKMT2ARXFP1
SCHEMBL8001663 0.76 IDO1 (0.70) IDO1GPR35POLBMEN1KMT2A
SCHEMBL1878835 0.75 PTPN1 (0.62) PTPN1GPR35POLBMEN1KMT2A

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
CN-110809607-A Resin composition, laminate, method for producing same, electrode, secondary battery, and electric double layer capacitor 东丽株式会社 2020-02-18 CN disclosed