SCHEMBL6203907

SCHEMBL6203907

COC([O])Cc1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LMNA P02545 1/20 0.33
DPP4 P27487 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX1 P07099 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6201417 0.78 IDO1 (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9729259 0.78 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL6203911 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL6204365 0.76 AKR1B1 (0.39) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL1008344 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6204382 0.72 SLC1A1 (0.46) TAAR1
SCHEMBL170907 0.72 GABRA1 (0.43) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL6205901 0.69 TRPA1 (0.46) KMT2AMEN1GAA
SCHEMBL695120 0.69 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6203594 0.69 MAOA (0.40) ALDH1A1DPP4

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed