SCHEMBL9469110

SCHEMBL9469110

CCc1c(C)c(=O)n(-c2cc(C(=O)OC(C)C)c(C#N)cc2F)c(=O)n1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
USP14 P54578 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
DHODH Q02127 1/20 0.31
JAK2 O60674 1/20 0.30
BTK Q06187 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9468899 0.90 L3MBTL1 (0.38) L3MBTL1BCAT2BCAT1USP14KDM4E
SCHEMBL9468788 0.87 USP14 (0.33) BCAT2BCAT1USP14
SCHEMBL9706615 0.85 LMNA (0.34) DHODHMAPT
SCHEMBL9469169 0.83 BCAT2 (0.34) L3MBTL1BCAT2BCAT1USP14
SCHEMBL9468940 0.83 BCAT2 (0.35) BCAT2BCAT1USP14DHODH
SCHEMBL9468797 0.82 L3MBTL1 (0.38) L3MBTL1BCAT2BCAT1USP14KDM4E
SCHEMBL9469318 0.82 BCAT2 (0.38) L3MBTL1BCAT2BCAT1USP14KDM4E
SCHEMBL9468862 0.81 BCAT2 (0.35) BCAT2BCAT1USP14ALDH1A1MAPT
SCHEMBL9468823 0.79 BCAT2 (0.35) BCAT2BCAT1USP14
SCHEMBL9469312 0.79 DHODH (0.31) USP14DHODH

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-5266554-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-11-30 US disclosed