SCHEMBL9015218

SCHEMBL9015218

CCCCCc1[nH]cc([N+](=O)[O-])c1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TXNRD1 Q16881 4/20 0.35
GSR P00390 1/20 0.35
PLK1 P53350 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
ESR1 P03372 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
VCAM1 P19320 1/20 0.33
HCAR3 P49019 1/20 0.33

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
SCHEMBL9519394 0.75 GPR84 (0.42) MAPTALDH1A1TDP1L3MBTL1KCNH2
SCHEMBL9015245 0.74 KCNH2 (0.36) ALDH1A1KCNH2
SCHEMBL11041595 0.73 TYMP (0.34) ALDH1A1KCNH2KDM4EESR1GAA
SCHEMBL1925551 0.72 TYR (0.37) MAPTTDP1
SCHEMBL9027341 0.71 ALDH1A1 (0.54) MAPTALDH1A1TDP1L3MBTL1KCNH2
SCHEMBL971909 0.71 ALDH1A1 (0.46) MAPTALDH1A1TDP1L3MBTL1KCNH2
SCHEMBL11041473 0.70 HTR1A (0.35) ALDH1A1KDM4EGAA
SCHEMBL27976370 0.70 TYR (0.40) MAPTTDP1
SCHEMBL28490653 0.70 PLK1 (0.46) MAPTALDH1A1TDP1L3MBTL1KCNH2
SCHEMBL10879957 0.69 TXNRD1 (0.40) MAPTALDH1A1TDP1L3MBTL1KCNH2

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-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP claimed