SCHEMBL22756325

SCHEMBL22756325

CCCc1cc([N+](=O)[O-])ccc1N(C=O)CCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.44
CYP19A1 P11511 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR3 P49019 1/20 0.37
KCNH2 Q12809 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
SCHEMBL14220842 0.76 KDM4E (0.49) CYP19A1HTTKDM4EALDH1A1MAPT
SCHEMBL15835003 0.75 POLB (0.52) CYP19A1HTTKDM4EALDH1A1MAPT
SCHEMBL27865322 0.73 CYP1A2 (0.50) HTTTP53KDM4EALDH1A1MAPT
SCHEMBL7122749 0.73 TDP1 (0.55) HTTKDM4EALDH1A1MAPTPOLB
SCHEMBL10340437 0.73 ALDH1A1 (0.58) CYP19A1HTTKDM4EALDH1A1MAPT
SCHEMBL6929818 0.72 ALDH3A1 (0.58) ALDH3A1CYP19A1HTTTP53ALDH1A1
SCHEMBL27463698 0.72 SMN1; SMN2 (0.53) HTTTP53KDM4EALDH1A1MAPT
SCHEMBL16744720 0.72 KDM4E (0.46) CYP19A1HTTKDM4EALDH1A1MAPT
SCHEMBL19363639 0.72 ALDH1A1 (0.53) CYP19A1HTTKDM4EALDH1A1MAPT
SCHEMBL24519723 0.72 CYP19A1 (0.44) ALDH3A1CYP19A1HTTTP53ALDH1A1

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
EP-3342766-B1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-12-09 EP disclosed