SCHEMBL19244631

SCHEMBL19244631

O=C(O)c1ccc(-c2ncn(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
TYR P14679 1/20 0.48
DRD1 P21728 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
SRD5A2 P31213 1/20 0.44
ADH5 P11766 2/20 0.43
MAPT P10636 2/20 0.40
PDE5A O76074 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EGFR P00533 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
SCHEMBL4549490 0.88 HPGDS (0.50) ADH5MAPTMEN1RAB9AKMT2A
SCHEMBL6758328 0.87 SMN1; SMN2 (0.50) CA12CA9CA1SRD5A2ADH5
SCHEMBL16144601 0.87 TPMT (0.50) CA12CA9ADH5MAPTMAOA
SCHEMBL18672145 0.85 ALDH1A1 (0.54) CA12CA9ADH5MAOAMAOB
SCHEMBL19042116 0.83 CA2 (0.51) CA2MAPTLMNA
SCHEMBL182028 0.83 MAOA (0.43) CA12CA9CA1CA2CA6
SCHEMBL19244630 0.82 ALDH5A1 (0.48) MAPTMEN1RAB9AKMT2A
SCHEMBL17589682 0.81 MAPT (0.42) CA3CA6CA14MAPTMEN1
SCHEMBL2744384 0.81 MEN1 (0.47) MAPTMAOAMAOBMEN1RAB9A
SCHEMBL19042100 0.81 ITGB1 (0.45) MAPTMEN1KMT2A

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
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed