SCHEMBL8109823

SCHEMBL8109823

CSc1ccc(C=C(Br)Br)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL27290683 0.76 CYP1A1 (0.49) HSD17B10KMT2AHTTTSHRCYP1A1
SCHEMBL3148643 0.76 TDP1 (0.55) HSD17B10KMT2AHTTTSHRCYP1A1
SCHEMBL27293211 0.76 ALDH1A1 (0.43) HSD17B10KMT2AHTTTSHRCYP1A1
SCHEMBL6340710 0.75 GABRA1 (0.55) HSD17B10TSHRGABRA1GABRG2GABRB3
SCHEMBL3753780 0.73 TTR (0.63) HSD17B10TSHRGABRA1GABRG2GABRB3
SCHEMBL3604055 0.71 TRIM24 (0.43) KMT2ACYP1A1CYP1A2CYP1B1HPGD
SCHEMBL1145370 0.69 AHR (0.43) HSD17B10KMT2AHTTTSHRCYP1A1
SCHEMBL30526797 0.69 TYMS (0.37) HSD17B10KMT2AHTTTSHRCYP1A1
SCHEMBL1920608 0.69 TYMS (0.37) HSD17B10KMT2AHTTTSHRCYP1A1
SCHEMBL16421961 0.69 ALDH1A1 (0.52) KMT2AHTTCYP1A1CYP1A2CYP1B1

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-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP 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