SCHEMBL28202996

SCHEMBL28202996

NC(=O)c1cc(N)ccc1-c1cccc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ YWHAG P61981 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ IKBKB O14920 3/20 0.40
▸ PARP1 P09874 2/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ROS1 P08922 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ FLT3 P36888 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
SCHEMBL3792146 0.87 MAP4K4 (0.48) BCAT2KDM4EMEN1MAPTTHRB
SCHEMBL28856798 0.82 MAPT (0.45) BCAT2KDM4EMEN1MAPTTHRB
SCHEMBL3794623 0.82 BCAT2 (0.63) BCAT2KDM4EMEN1MAPTTHRB
SCHEMBL28856825 0.81 TAAR1 (0.50) BCAT2KDM4EMEN1MAPTTHRB
SCHEMBL3551266 0.79 BCAT2 (0.59) BCAT2KDM4EMEN1MAPTTHRB
SCHEMBL28203739 0.79 KMT2A (0.48) MEN1KMT2A
SCHEMBL3789235 0.78 MAPT (0.50) BCAT2KDM4EMEN1MAPTTHRB
SCHEMBL28202997 0.78 RORB (0.57) KDM4EPARP1
SCHEMBL28856730 0.78 IKBKB (0.50) IKBKBPARP1
SCHEMBL29771744 0.75 BCAT2 (0.48) BCAT2KDM4EMEN1MAPTTHRB

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-107734969-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-02-23 — — CN disclosed
Send feedback