SCHEMBL11623903

SCHEMBL11623903

Cc1ccc([N+](=O)[O-])cc1N1C(=O)c2ccc(Cl)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA12 O43570 3/20 0.48
RECQL P46063 1/20 0.47
NPBWR1 P48145 1/20 0.46
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GFER P55789 1/20 0.44
ALOX5 P09917 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42

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
SCHEMBL11623896 0.90 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL11726838 0.86 CA12 (0.50) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL18806465 0.85 RECQL (0.62) ALDH1A1MEN1KMT2ACA12RECQL
SCHEMBL11723680 0.84 AR (0.51) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL11721772 0.84 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL8664384 0.83 CA12 (0.59) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL11616626 0.82 ALDH1A1 (0.53) ALDH1A1MAPTCA12RECQLCA9
SCHEMBL11724682 0.82 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ACA12RECQL
SCHEMBL11721609 0.82 CA12 (0.46) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL11726568 0.82 CA12 (0.52) ALDH1A1MAPTMEN1KMT2ACA12

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
US-4124593-A ANTICONVULSANTS, EPILEPSY CIBA-GEIGY CORPORATION (US) 1978-11-07 US disclosed
US-4025505-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1977-05-24 US disclosed
US-3941883-A Aromatic dicarboxamides as anticonvulsants CIBA-GEIGY CORPORATION (US) 1976-03-02 US disclosed