SCHEMBL11261985

SCHEMBL11261985

CC1SCCCNc2c1cc(C(F)(F)F)cc2[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
MAPT P10636 5/20 0.39
MAPK1 P28482 4/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN5 P54829 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL11272551 0.84 MAPT (0.30) MAPT
SCHEMBL11262598 0.82 AKR1B1 (0.33) ALDH1A1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL11270748 0.73 MAPT (0.35) SMN1; SMN2ALDH1A1TDP1HIF1AMAPT
SCHEMBL11273833 0.72 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPTALOX12L3MBTL1
SCHEMBL11264935 0.72 ESPL1 (0.34) ALDH1A1CYP3A4HIF1AMAPTMEN1
SCHEMBL11273824 0.72 HTR2A (0.43) ALDH1A1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL11260482 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4TSHRHPGDMAPT
SCHEMBL11272587 0.71 MAPT (0.35) ALDH1A1CYP3A4TSHRMAPTMAPK1
SCHEMBL11264369 0.69 HTR2A (0.35) MEN1KMT2ACYP2C19PKM
SCHEMBL11266402 0.68 MAPT (0.36) ALDH1A1TDP1TSHRMAPTMAPK1

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-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed