SCHEMBL8100206

SCHEMBL8100206

CSc1ccc(C#CBr)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MCL1 Q07820 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
MAOA P21397 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
SCHEMBL8109706 0.78 PGK1 (0.37) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL3753905 0.78 TRPV4 (0.52) CYP11B1CYP11B2MAOAMAOB
SCHEMBL3793217 0.73 PDE7A (0.41) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL1145370 0.72 AHR (0.43) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL8108748 0.72 HPGD (0.41) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL1920608 0.71 TYMS (0.37) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL30526797 0.71 TYMS (0.37) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL8772397 0.69 CYP3A4 (0.48) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL12164468 0.68 ALDH1A1 (0.45) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL6303656 0.67 KMT2A (0.37) HSD17B10KMT2AHTTTSHRHPGD

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-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
CN-1039081-C New herbicides RHONE POULENC AGRICULTURE (GB) 1998-07-15 CN 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