SCHEMBL8545541

SCHEMBL8545541

C=CCOc1ccc2c(c1)CCNC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
PARP11 Q9NR21 8/20 0.50
PARP10 Q53GL7 7/20 0.50
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
PDPK1 O15530 1/20 0.44
PARP1 P09874 1/20 0.44
GRM5 P41594 3/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNA5 P22460 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 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
SCHEMBL3989227 0.80 MAOB (0.56) ADRA2AADRA2BADRA2CMEN1LMNA
SCHEMBL30527041 0.79 PARP11 (0.55) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL21040262 0.79 PARP11 (0.55) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL1036450 0.79 KCNA5 (0.53) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL19574541 0.79 PARP11 (0.55) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL25597402 0.78 PARP11 (0.50) PARP11PARP10GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL12502617 0.78 PARP11 (0.50) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL1239440 0.78 PARP11 (0.50) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL21845116 0.77 PARP11 (0.47) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL3959550 0.77 MAOB (0.60) ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed