SCHEMBL7086161

SCHEMBL7086161

FC(F)(F)Oc1ccccc1Cc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
AHR P35869 2/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
IDO1 P14902 1/20 0.48
HTR6 P50406 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
GOT1 P17174 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL27946629 0.80 IDO1 (0.70) GPR84MEN1KMT2AAHRCYP3A4
Arundine SCHEMBL325162 0.79 MEN1 (1.00) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL28658592 0.77 SLC22A6 (0.50) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL31744605 0.77 MEN1 (0.68) GPR84MEN1KMT2AAHRCYP3A4
Arundine SCHEMBL28335217 0.77 MEN1 (0.95) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL1856636 0.74 MEN1 (0.58) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL27704617 0.74 GPR84 (0.53) GPR84CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL29007187 0.72 GPR84 (1.00) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL23144846 0.71 MEN1 (0.75) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL3132443 0.71 MEN1 (0.75) GPR84MEN1KMT2AAHRCYP3A4

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-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed