SCHEMBL9337591

SCHEMBL9337591

N#Cc1c([N+](=O)[O-])[nH]c(C(F)(F)F)c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
HPGD P15428 8/20 0.38
GAA P10253 8/20 0.38
GLA P06280 7/20 0.38
KDM4E B2RXH2 7/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TP53 P04637 1/20 0.34
VCAM1 P19320 4/20 0.33
PSD A5PKW4 3/20 0.32
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TXNRD1 Q16881 1/20 0.32

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
SCHEMBL9840879 0.71 ABCC8 (0.33) ALDH1A1HPGDGAAGLAKDM4E
SCHEMBL1180128 0.71 ALDH1A1 (0.39) ALDH1A1HPGDGAAGLAKDM4E
SCHEMBL9339638 0.70 ALDH1A1 (0.40) ALDH1A1HPGDGAAGLAKDM4E
SCHEMBL9840608 0.69 KDM4E (0.49) ALDH1A1HPGDGAAGLAKDM4E
SCHEMBL9337659 0.68 VCAM1 (0.33) ALDH1A1HPGDGAAGLAKDM4E
SCHEMBL1180043 0.68 KDM4E (0.36) ALDH1A1HPGDGAAGLAKDM4E
SCHEMBL9840656 0.68 PSD (0.42) ALDH1A1HPGDHTTLMNAKMT2A
SCHEMBL9015168 0.67 PSD (0.45) ALDH1A1HPGDGAAGLAKDM4E
SCHEMBL9015062 0.66 KDM4E (0.48) ALDH1A1HPGDGAAGLAKDM4E
SCHEMBL9015151 0.66 PSD (0.41) ALDH1A1HPGDGAAGLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347488-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID CO (US) 1994-06-01 EP disclosed
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed