SCHEMBL8948568

SCHEMBL8948568

CC1(C)C=Cc2c(Cl)cc(F)c(N=C=O)c2O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.34
HSD17B10 Q99714 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
HIF1A Q16665 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9223720 0.76 GABRA1 (0.31) HSD17B10ALDH1A1
SCHEMBL8948504 0.75 PDE4D (0.36) PDE4DHSD17B10CA12CA1CA7
SCHEMBL8948929 0.70 PDE4D (0.32) PDE4DLMNAHPGD
SCHEMBL9222418 0.67 NPC1 (0.33)
SCHEMBL6964625 0.62 GABRA1 (0.38) TSHR
SCHEMBL8948598 0.62 PDE4A (0.32)
SCHEMBL9835832 0.62 MAPK1 (0.38) HSD17B10ALDH1A1TSHR
SCHEMBL1952585 0.62 MAPK1 (0.38)
SCHEMBL28565939 0.61 TDP1 (0.41) ALDH1A1HPGD
SCHEMBL7929412 0.60 TDP1 (0.39) ALDH1A1HPGD

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-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed