SCHEMBL8067932

SCHEMBL8067932

O=C(CCN1CCCCCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 1/20 0.62
RAD52 P43351 1/20 0.62
ALDH1A1 P00352 4/20 0.61
GFER P55789 1/20 0.59
HTR1A P08908 1/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.55
SLC6A2 P23975 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
SLC6A3 Q01959 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
KCNH2 Q12809 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
CES2 O00748 1/20 0.51

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
SCHEMBL6055571 1.00 KMT2A (0.62) KMT2AMEN1RAD52ALDH1A1GFER
Hydrochloric Acid SCHEMBL29411680 0.99 ALDH1A1 (0.62) KMT2AMEN1RAD52ALDH1A1GFER
Hydrochloric Acid SCHEMBL6081870 0.99 ALDH1A1 (0.62) KMT2AMEN1RAD52ALDH1A1GFER
SCHEMBL29803050 0.87 KDM4E (0.63) KMT2AMEN1ALDH1A1HTR1APOLB
SCHEMBL21643400 0.87 KDM4E (0.63) KMT2AMEN1ALDH1A1HTR1APOLB
Hydrochloric Acid SCHEMBL7929075 0.87 HTR1A (0.57) KMT2AMEN1RAD52ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL7931586 0.86 HTR1A (0.56) KMT2AMEN1RAD52ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL7934860 0.86 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1HTR1APOLB
5-Nitroisatin SCHEMBL9789861 0.85 CASP3 (0.54) KMT2AMEN1RAD52ALDH1A1GFER
Hydrochloric Acid SCHEMBL5353947 0.83 SMN1; SMN2 (0.58) KMT2AMEN1ALDH1A1HTR1APOLB

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-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0673782-B1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORP (US) 2000-06-14 EP claimed
EP-0128006-B1 A SOIL-DISEASE-CONTROLLING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-4709052-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-24 US disclosed
EP-0128006-A2 A soil-disease-controlling agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 EP disclosed