SCHEMBL7479018

SCHEMBL7479018

NNc1ccccc1C1=NOCC1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL700746 0.77 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1
SCHEMBL3175492 0.73 HPGD (0.44) CA1CA2ALDH1A1L3MBTL1
SCHEMBL8626370 0.73 CRBN (0.41) ALDH1A1TDP1L3MBTL1
SCHEMBL11817898 0.70 ALDH1A1 (0.46) CA12CA1CA2CA6CA5A
SCHEMBL29396692 0.68 ALDH1A1 (0.42) CA12CA1CA2CA6CA7
SCHEMBL570014 0.67 CHRNB4 (0.42) CA1CA2ALDH1A1TDP1L3MBTL1
SCHEMBL14854458 0.67 MKNK1 (0.41)
SCHEMBL28734259 0.65 GAA (0.46) ALDH1A1TDP1
SCHEMBL29574369 0.65 GAA (0.46) ALDH1A1TDP1
SCHEMBL10343777 0.65

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-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 WO disclosed