SCHEMBL8668680

SCHEMBL8668680

Nc1c(Br)cc2c(c1[N+](=O)[O-])CC(N1CCCCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 6/20 0.33
MAPT P10636 6/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 2/20 0.33
PKM P14618 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.31
CTSB P07858 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PAX8 Q06710 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8675657 0.99 FYN (0.37) FYNMAPK1MEN1KMT2AALDH1A1
SCHEMBL8671076 0.77 ALDH1A1 (0.39) FYNALDH1A1MAPTCYP3A4CTSB
SCHEMBL8669853 0.77 ALDH1A1 (0.39) FYNALDH1A1MAPTCYP3A4CTSB
SCHEMBL8669857 0.77 ALDH1A1 (0.39) FYNALDH1A1MAPTCYP3A4CTSB
Hydrochloric Acid SCHEMBL8668055 0.76 ALDH1A1 (0.38) FYNALDH1A1MAPTCYP3A4CTSB
SCHEMBL8669254 0.73 THRA (0.38) ALDH1A1CYP3A4CYP1A2LMNACTSB
SCHEMBL21962340 0.71 GRIN1 (0.48) ALDH1A1MAPTCYP3A4CTSB
SCHEMBL8668636 0.69 CA1 (0.44) ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8671380 0.69 MAPT (0.38) MAPK1MEN1KMT2AALDH1A1MAPT
SCHEMBL8702726 0.68 ALDH1A1 (0.32) KMT2AALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed