SCHEMBL8845246

SCHEMBL8845246

COc1ccc(CN2C=NN(Nc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC29A1 Q99808 1/20 0.43
KMT2A Q03164 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.40
GSK3B P49841 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL8845328 0.91 CYP19A1 (0.44) KCNJ1KCNH2MAPTSMN1; SMN2HTT
SCHEMBL8845438 0.88 SMN1; SMN2 (0.44) MAPTSMN1; SMN2SLC29A1KMT2ARAB9A
SCHEMBL8845309 0.86 MAPT (0.46) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL8845468 0.85 CYP19A1 (0.40) KCNJ1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8845405 0.85 SLC29A1 (0.40) KCNJ1KCNH2MAPTSMN1; SMN2HTT
SCHEMBL8845463 0.85 KCNJ1 (0.44) KCNJ1KCNH2MAPTSMN1; SMN2HTT
SCHEMBL8845932 0.85 BCHE (0.45) MAPTSMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL8845414 0.83 KCNJ1 (0.47) KCNJ1KCNH2MAPTSMN1; SMN2ALDH1A1
SCHEMBL8845454 0.83 TGM2 (0.46) KCNJ1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8845195 0.76 POLB (0.37) KCNJ1MAPTSMN1; SMN2HTTALDH1A1

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