SCHEMBL2646945

SCHEMBL2646945

Nc1ccc2c(c1N)C(=O)OC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.41
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
ALDH1A1 P00352 1/20 0.35
TYMS P04818 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GFER P55789 1/20 0.34
PRF1 P14222 5/20 0.33
FGR P09769 1/20 0.33

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
SCHEMBL27191578 0.81 KDM4E (0.44) KDM4ELMNAGAAMAPTMAOA
SCHEMBL1611599 0.78 MAOA (0.47) KDM4ELMNAGAAMAPTMAOA
SCHEMBL31616856 0.69 KDM4E (0.47) KDM4ELMNAGAAMAPTMAOA
SCHEMBL4455687 0.69 KDM4E (0.47) KDM4ELMNAGAAMAPTMAOA
SCHEMBL23566358 0.69 GAA (0.41) KDM4ELMNAGAAMAPTMAOA
SCHEMBL32673187 0.68 KDM4E (0.46) KDM4ELMNAGAAMAPTMAOA
SCHEMBL20774492 0.68 KDM4E (0.50) KDM4ELMNAGAAMAPTMAOA
SCHEMBL5467018 0.68 KDM4E (0.46) KDM4ELMNAGAAMAPTMAOA
SCHEMBL15680616 0.68 KDM4E (0.46) KDM4ELMNAGAAMAPTMAOA
SCHEMBL3226964 0.67 MAOA (0.43) LMNAGAAMAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed