SCHEMBL6990765

SCHEMBL6990765

CCCn1nc(-c2cc(OC)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6989453 0.84 KMT2A (0.42) PTGS2SMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL6986812 0.79 ALDH1A1 (0.40) PTGS2SMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL7369460 0.78 ADORA2B (0.47) PTGS2SMN1; SMN2HTTHSD17B10ALDH1A1
SCHEMBL6990503 0.76 TSHR (0.39) PTGS2SMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL6985903 0.75 FGFR1 (0.37) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6979697 0.73 CYP1A2 (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6987042 0.73 PDE10A (0.37) SMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL6987419 0.72 ALDH1A1 (0.43) SMN1; SMN2HTTALDH1A1TSHR
SCHEMBL6987183 0.71 TSHR (0.45) SMN1; SMN2HTTALDH1A1TSHRNPSR1
SCHEMBL6987206 0.71 PDE1A (0.36) SMN1; SMN2HTTALDH1A1KMT2ATSHR

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-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed