SCHEMBL19204903

SCHEMBL19204903

[CH2]N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.55
IDO1 P14902 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
PYCR1 P32322 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HTT P42858 1/20 0.49
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL7297850 0.89 PYCR1 (0.55) APLNRIDO1ALDH1A1SMN1; SMN2TP53
SCHEMBL12049800 0.81 APLNR (0.59) APLNRIDO1ALDH1A1SMN1; SMN2TP53
SCHEMBL5270803 0.81 APLNR (0.59) APLNRIDO1ALDH1A1SMN1; SMN2TP53
SCHEMBL22695349 0.79 PYCR1 (0.50) APLNRIDO1ALDH1A1SMN1; SMN2TP53
SCHEMBL385286 0.79 HRH3 (0.58) APLNRIDO1ALDH1A1SMN1; SMN2TSHR
SCHEMBL4611890 0.79 PYCR1 (0.69) APLNRIDO1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7345643 0.77 AOC3 (0.58) APLNRIDO1ALDH1A1SMN1; SMN2PYCR1
SCHEMBL7047446 0.77 APLNR (0.55) APLNRIDO1ALDH1A1SMN1; SMN2PYCR1
SCHEMBL17099352 0.77 APLNR (0.55) APLNRIDO1ALDH1A1SMN1; SMN2TP53
SCHEMBL11172244 0.77 PYCR1 (0.61) APLNRIDO1ALDH1A1SMN1; SMN2TP53

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
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed