SCHEMBL8945263

SCHEMBL8945263

CCCCC1CCC(c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
SRD5A2 P31213 1/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PGR P06401 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.41
DGAT1 O75907 1/20 0.40
SLC18A3 Q16572 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
SCHEMBL7723476 0.93 CYP2C9 (0.48) CYP2C9MAPTALDH1A1LMNASRD5A2
SCHEMBL10477199 0.88 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAMAPK1
SCHEMBL10477198 0.88 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAMAPK1
SCHEMBL10865064 0.87 KMT2A (0.50) CYP2C9MAPTALDH1A1LMNAMAPK1
SCHEMBL8945521 0.85 POLB (0.42) CYP2C9MAPTALDH1A1LMNAMAPK1
SCHEMBL10477180 0.84 CYP2C9 (0.46) CYP2C9MAPTALDH1A1LMNAMAPK1
SCHEMBL10477178 0.84 CYP2C9 (0.46) CYP2C9MAPTALDH1A1LMNAMAPK1
SCHEMBL9837944 0.84 MAPT (0.46) CYP2C9MAPTALDH1A1LMNAMAPK1
SCHEMBL9837935 0.84 MAPT (0.46) CYP2C9MAPTALDH1A1LMNAMAPK1
SCHEMBL10347815 0.83 CYP2C9 (0.46) CYP2C9MAPTALDH1A1LMNAMAPK1

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-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed