SCHEMBL8845328

SCHEMBL8845328

O=[N+]([O-])c1ccc(CN2C=NN(Nc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNJ1 P48048 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
DBH P09172 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.38
TGM2 P21980 1/20 0.38
PTPRF P10586 1/20 0.38

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
SCHEMBL8845309 0.95 MAPT (0.46) CYP19A1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL8845468 0.94 CYP19A1 (0.40) CYP19A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL8845463 0.94 KCNJ1 (0.44) CYP19A1MAPTSMN1; SMN2ALDH1A1KCNJ1
SCHEMBL8845405 0.94 SLC29A1 (0.40) CYP19A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL8845438 0.94 SMN1; SMN2 (0.44) CYP19A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL8845932 0.94 BCHE (0.45) KDM4EMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL8845454 0.91 TGM2 (0.46) CYP19A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL8845246 0.91 KCNJ1 (0.47) MAPTLMNASMN1; SMN2ALDH1A1KCNJ1
SCHEMBL8845414 0.91 KCNJ1 (0.47) CYP19A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL8845195 0.84 POLB (0.37) CYP19A1KDM4EMAPTLMNASMN1; SMN2

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
US-5674886-A AROMATASE INHIBITOR; BREAST CANCER; UROGENITAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-07 US disclosed