SCHEMBL7769583

SCHEMBL7769583

Cc1cc(I)ccc1Nc1cc(F)c(-n2cccc2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.55
MAP2K1 Q02750 13/20 0.47
MAP2K2 P36507 7/20 0.47
STING1 Q86WV6 1/20 0.41
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
PTPN6 P29350 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4861357 0.84 IDO1 (0.66) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL4860619 0.80 IDO1 (0.60) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL5678007 0.77 IDO1 (0.70) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL5676416 0.76 IDO1 (0.62) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL6035697 0.76 IDO1 (0.56) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL4855512 0.75 IDO1 (0.61) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL7625953 0.74 IDO1 (0.54) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL5677981 0.73 IDO1 (0.61) IDO1MEN1KMT2ATDP1
SCHEMBL6035263 0.73 IDO1 (0.65) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL6035920 0.73 MAP2K1 (0.55) IDO1MAP2K1MAP2K2PTPRCPTPN2

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
JP-2001055376-A DIARYL AMINE WARNER LAMBERT CO 2001-02-27 JP disclosed