SCHEMBL18154007

SCHEMBL18154007

CC(C)(C)CN(C(=O)O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP19A1 P11511 1/20 0.35
CASP6 P55212 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HCAR3 P49019 1/20 0.34
CYP3A4 P08684 2/20 0.34
AR P10275 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PGR P06401 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
SCHEMBL16701743 0.80 TDP1 (0.44) ATMTDP1MAPTTSHRALDH1A1
SCHEMBL18147353 0.77 ATM (0.50) ATMTDP1MAPTTSHRALDH1A1
SCHEMBL18147351 0.77 ATM (0.50) ATMTDP1MAPTTSHRALDH1A1
SCHEMBL3719806 0.76 HCAR3 (0.58) TDP1MAPTTSHRALDH1A1NPSR1
SCHEMBL14180498 0.72 TDP1 (0.55) ATMTDP1MAPTTSHRALDH1A1
SCHEMBL18146659 0.72 ATM (0.44) ATMTDP1MAPTTSHRALDH1A1
SCHEMBL23525135 0.72 ATM (0.50) ATMTDP1MAPTTSHRALDH1A1
SCHEMBL18154006 0.71 ATM (0.43) ATMTDP1MAPTALDH1A1LMNA
SCHEMBL7900446 0.70 ALDH1A1 (0.59) ATMTDP1MAPTTSHRALDH1A1
SCHEMBL3714543 0.69 ATM (0.50) ATMTDP1MAPTTSHRALDH1A1

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
EP-3283459-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-02-21 EP disclosed
WO-2016168059-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-10-20 WO disclosed