SCHEMBL11270748

SCHEMBL11270748

CC1SCCCNc2cc([N+](=O)[O-])c(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
ALDH1A1 P00352 6/20 0.35
PGR P06401 2/20 0.35
ESPL1 Q14674 1/20 0.33
AKR1B1 P15121 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 3/20 0.32
GAA P10253 3/20 0.32
HIF1A Q16665 1/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31
VCAM1 P19320 1/20 0.31
MITF O75030 1/20 0.30

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
SCHEMBL11272587 0.85 MAPT (0.35) MAPTALDH1A1AKR1B1LMNAGAA
SCHEMBL11269752 0.76 NPC1 (0.40) MAPTALDH1A1PGRGAAHIF1A
SCHEMBL11262598 0.73 AKR1B1 (0.33) MAPTALDH1A1AKR1B1GAANPSR1
SCHEMBL11261985 0.73 SMN1; SMN2 (0.40) MAPTALDH1A1TDP1LMNAGAA
SCHEMBL11273833 0.68 ALDH1A1 (0.37) MAPTALDH1A1LMNAGAAHTT
SCHEMBL2206444 0.67 ALDH1A1 (0.67) MAPTALDH1A1PGRESPL1ATM
SCHEMBL11271452 0.67 CA12 (0.38) MAPT
SCHEMBL11275332 0.66 MAPT (0.36) MAPTALDH1A1TDP1GAAHTT
Hydrochloric Acid SCHEMBL11275024 0.66 HTR2C (0.36) MAPTALDH1A1GAA
SCHEMBL11266402 0.66 MAPT (0.36) MAPTALDH1A1TDP1HTTMAPK1

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