SCHEMBL8535897

SCHEMBL8535897

N#Cc1cccc2cc3c([N+](=O)[O-])cccc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 3/20 0.48
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRM6 O15303 1/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
VCAM1 P19320 1/20 0.45
TSHR P16473 1/20 0.42
HTT P42858 3/20 0.42
CASP6 P55212 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4D Q6B0I6 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
SCHEMBL8350983 0.89 ALDH1A1 (0.53) ALDH1A1TDP1GRIA1GRIA2GRIA3
SCHEMBL9735773 0.84 ALDH1A1 (0.69) ALDH1A1TDP1MAPTHPGDPOLB
SCHEMBL1343193 0.83 TDP1 (0.67) ALDH1A1TDP1GRIA1GRIA2GRIA3
SCHEMBL18322219 0.80 HTT (0.53) ALDH1A1MAPTTSHRHTTCA1
SCHEMBL30696914 0.79 ALDH1A1 (0.68) ALDH1A1TDP1MAPTPOLBTSHR
SCHEMBL579426 0.79 ALDH1A1 (0.68) ALDH1A1TDP1MAPTPOLBTSHR
SCHEMBL9734521 0.79 ALDH1A1 (0.67) ALDH1A1TDP1MAPTHPGDPOLB
SCHEMBL9054774 0.78 ALDH1A1 (0.47) ALDH1A1TDP1GRIA1GRIA2GRIA3
SCHEMBL5167844 0.78 ALDH1A1 (0.66) ALDH1A1TDP1MAPTPOLBTSHR
SCHEMBL1344126 0.77 ALDH1A1 (0.56) ALDH1A1TDP1GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837896-A1 AROMATIC POLYAMIDE, OPTICAL ANISOTROPIC DOPE AND ARTICLES AND PREPARATION FOR THE SAME Kolon Industries Inc. (KR) 1998-04-29 EP disclosed
US-5728799-A FORMING A CONDENSATION POLYMER IN PYRIDINE FROM AROMATIC DIACID HALIDE AND AROMATIC DIAMINE TO FORM POLYAMIDE AND MIXTURE WITH A SALT TO FORM DOPE KOLON INDUSTRIES, INC. (KR) 1998-03-17 US disclosed
WO-1997003109-A1 AROMATIC POLYAMIDE, OPTICAL ANISOTROPIC DOPE AND ARTICLES AND PREPARATION FOR THE SAME KOLON INDUSTRIES, INC. (KR) 1997-01-30 WO disclosed