SCHEMBL9099466

SCHEMBL9099466

N#Cc1c(Cl)cc(C(=O)Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.35
TSHR P16473 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
S1PR3 Q99500 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6819863 0.83 TTR (0.56) TTRTSHRMRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL10644829 0.76 CA12 (0.47) TSHRMRGPRX4ALDH1A1SMN1; SMN2MEN1
SCHEMBL14317768 0.75 MEN1 (0.37) ALDH1A1SMN1; SMN2MEN1TP53CYP3A4
SCHEMBL28744525 0.75 TRPV4 (0.47) S1PR3ALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL10921198 0.74 TTR (0.48) TTRTSHRALDH1A1MEN1CYP3A4
SCHEMBL983196 0.74 HPGD (0.46) TTRTSHRALDH1A1CYP3A4HPGD
SCHEMBL11875236 0.73 GSK3B (0.40) TTRMEN1KMT2AGPR35
SCHEMBL5222486 0.73 GSK3B (0.40) TTRMRGPRX4MEN1KMT2AGPR35
SCHEMBL4903616 0.72 TTR (0.65) TTRTSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL1900659 0.72 CYP3A4 (0.50) TTRALDH1A1SMN1; SMN2MEN1TP53

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-0600629-B1 N-acetonylbenzamides and their use as fungicides ROHM & HAAS (US) 1996-05-08 EP disclosed
EP-0600629-A1 N-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-06-08 EP disclosed
US-5304572-A N-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-04-19 US disclosed