SCHEMBL11247802

SCHEMBL11247802

N#CC(NC(=O)C(Cl)(Cl)Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
CTSS P25774 4/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
RIPK1 Q13546 1/20 0.38
PDE2A O00408 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL15716423 0.83 PDE2A (0.42) LMNAALDH1A1HTTHPGDTSHR
SCHEMBL7598651 0.80 TSHR (0.47) LMNAALDH1A1HTTHPGDMAPK1
SCHEMBL11249549 0.78 CTSS (0.48) LMNAALDH1A1HTTHPGDMEN1
SCHEMBL14065364 0.77 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRCTSSAKR1C3
SCHEMBL11639107 0.77 TSHR (0.44) LMNAALDH1A1HTTHPGDTSHR
SCHEMBL8358267 0.77 HPGDS (0.49) LMNAALDH1A1HTTHPGDMEN1
SCHEMBL11256931 0.77 ALDH1A1 (0.54) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL9848415 0.76 LMNA (0.53) LMNAALDH1A1HPGDCTSSSMN1; SMN2
SCHEMBL15716728 0.75 CTSS (0.51) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL7932238 0.73 CTSS (0.42) LMNAALDH1A1TSHRCTSSAKR1C3

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
US-4335053-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed
US-4288384-A N-Cyanoalkyl haloacetamides herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1981-09-08 US disclosed