SCHEMBL8100428

SCHEMBL8100428

CSc1ccc(-c2oncc2C(=O)C2CC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 3/20 0.31
POLB P06746 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
SYK P43405 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 3/20 0.31
SLC18A3 Q16572 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8108797 0.84 HCRTR1 (0.37) ALDH1A1KMT2ASYKMAPTRXFP1
SCHEMBL8114341 0.78 PDE4A (0.40) KMT2APOLBMAPTRXFP1LMNA
SCHEMBL8725745 0.77 HCRTR1 (0.34) ALDH1A1KMT2APOLBMAPTLMNA
SCHEMBL9117857 0.77 L3MBTL1 (0.36) ALDH1A1KMT2APOLBMAPTLMNA
SCHEMBL8726295 0.76 MELK (0.36) ALDH1A1SMN1; SMN2
SCHEMBL9116591 0.74 RAB9A (0.41) ALDH1A1KMT2ALMNAMEN1
SCHEMBL8101250 0.73 MELK (0.36) ALDH1A1
SCHEMBL9119031 0.72
SCHEMBL8041945 0.71 AR (0.30)
SCHEMBL8889570 0.70 SMN1; SMN2 (0.33) ALDH1A1KMT2APOLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP claimed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US claimed
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed