SCHEMBL9613872

SCHEMBL9613872

CCc1cccc(CC)c1N(COCCCl)C(=O)CCl

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.80
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
TP53 P04637 6/20 0.72
ALDH1A1 P00352 3/20 0.69
CYP3A4 P08684 1/20 0.69
NR1I2 O75469 1/20 0.65
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PAX8 Q06710 2/20 0.37
JAK2 O60674 1/20 0.37
GPX4 P36969 1/20 0.36

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
SCHEMBL9614001 0.91 TDP1 (0.85) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL9420240 0.90 TP53 (0.84) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL4891145 0.89 TDP1 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL65784 0.89 TDP1 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11211571 0.85 TDP1 (0.71) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL10495725 0.84 TDP1 (0.70) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL11052762 0.84 TDP1 (0.90) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL3693881 0.84 TP53 (0.83) TDP1MEN1KMT2ATP53ALDH1A1
Alachlor SCHEMBL15501 0.84 TP53 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
Alachlor SCHEMBL3955304 0.84 TP53 (1.00) TDP1MEN1KMT2ATP53ALDH1A1

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-5155272-A Process for the production of haloacylamides MONSANTO COMPANY (US) 1992-10-13 US disclosed