SCHEMBL28063333

SCHEMBL28063333

Nc1cnc(I)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
POLB P06746 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CFTR P13569 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CHKA P35790 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL29498290 0.78 CA2 (0.43) PIK3CDPOLBGLAGAATSHR
SCHEMBL20320533 0.77 UHRF1 (0.56) PIK3CDPOLBGLAGAATSHR
SCHEMBL24228137 0.77 CA2 (0.47) PIK3CDPOLBGLAGAATSHR
SCHEMBL15019715 0.75 MBOAT4 (0.34) L3MBTL1ASPH
SCHEMBL25321115 0.75 PIK3CD (0.41) PIK3CDPOLBGLAGAATSHR
SCHEMBL16770544 0.75 NOTUM (0.38) PIK3CDPOLBGAAALDH1A1KDM4E
SCHEMBL30488644 0.74 ASPH (0.36) CFTRASPH
SCHEMBL11919268 0.74 ASPH (0.36) CFTRASPH
SCHEMBL14392743 0.71 AGBL2 (0.35) ALDH1A1HSD17B10HPGDASPH
SCHEMBL19837518 0.71 NOTUM (0.38) PIK3CDPOLBGLAGAAALDH1A1

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
CN-105636439-A Herbicidal compounds SYNGENTA PARTICIPATIONS AG 2016-06-01 CN disclosed