SCHEMBL27260855

SCHEMBL27260855

CCCCOCN(C(=O)CCl)c1c(CN)cccc1C(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 5/20 0.48
TP53 P04637 4/20 0.48
NR1I2 O75469 1/20 0.48
CYP3A4 P08684 1/20 0.48
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PAX8 Q06710 2/20 0.36
JAK2 O60674 1/20 0.36
GPX4 P36969 1/20 0.35
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 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
SCHEMBL29634930 0.86 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL8534756 0.86 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL135983 0.86 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL11231885 0.82 TP53 (0.70) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL4891145 0.81 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL65784 0.81 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL11233514 0.81 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL9205787 0.80 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL17110610 0.79 TDP1 (0.88) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL11052762 0.78 TDP1 (0.90) TDP1MEN1KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-87102879-A Benzhydryl compounds as herbicide antidotes 1987-10-28 CN claimed
CN-1024488-C Benzhydryl compounds as henbicide antidotes MONSANTO CO (US) 1994-05-18 CN disclosed