SCHEMBL4697782

SCHEMBL4697782

CCN(C(=O)Cl)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
RIPK1 Q13546 3/20 0.38
HTT P42858 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PKM P14618 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.34
ACKR3 P25106 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6451749 0.85 CYP3A4 (0.46) TSHRCES2CES1RIPK1HTT
SCHEMBL9337268 0.83 TSHR (0.40) TSHRCES2CES1RIPK1HTT
SCHEMBL9794572 0.81 MLYCD (0.43) TSHRCES2CES1RIPK1HTT
SCHEMBL9363884 0.81 RIPK1 (0.46) TSHRCES2CES1RIPK1HTT
SCHEMBL9835586 0.76 MAPT (0.37) TSHRCES2CES1RIPK1HTT
SCHEMBL11428259 0.75 HTT (0.38) TSHRCES2CES1RIPK1HTT
SCHEMBL4699159 0.73 PSEN1 (0.39) TSHRCES2CES1HTTDDB1
SCHEMBL9359593 0.73 CYP3A4 (0.43) RIPK1CYP3A4ALDH1A1
SCHEMBL5716046 0.72 CYP3A4 (0.46) CES2CES1RIPK1HTTDDB1
SCHEMBL9678771 0.72 PTK2 (0.41) HTTALDH1A1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974587-B1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEM IND CO (JP) 2008-04-23 EP disclosed
US-6077814-A LOW PHYTOTOXICITY TO THE CROP PLANTS; SELECTIVE ACTIVITY HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-20 US disclosed
EP-0974587-A1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2000-01-26 EP disclosed