SCHEMBL22017889

SCHEMBL22017889

CC1CC1NC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.39
TAF1 P21675 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
EGLN1 Q9GZT9 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 4/20 0.32
TAS1R1 Q7RTX1 4/20 0.32
TAS1R2 Q8TE23 4/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 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
SCHEMBL22018045 0.84 ALDH1A1 (0.41) ALDH1A1
SCHEMBL22017879 0.81 GRM5 (0.43) ALDH1A1HPGD
SCHEMBL22017866 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22017880 0.81 GRM5 (0.44) ALDH1A1HPGD
SCHEMBL22018297 0.80 BAZ2B (0.39) BRD4EGLN1POLBHPGD
SCHEMBL22017868 0.80 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL22018649 0.80
SCHEMBL22018099 0.78 MAPK1 (0.35) BRD4HPGD
SCHEMBL22322578 0.76 KDM4E (0.33) POLB
SCHEMBL22336368 0.75 P4HTM (0.36) ALDH1A1POLBHPGD

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
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed