SCHEMBL8064332

SCHEMBL8064332

BrC(Br)c1ccc2cn[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.58
METAP2 P50579 3/20 0.58
DYRK1A Q13627 2/20 0.58
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
FGFR1 P11362 6/20 0.49
FGFR2 P21802 2/20 0.47
FGFR3 P22607 1/20 0.47
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 4/20 0.46
F2 P00734 1/20 0.46
HSP90AA1 P07900 1/20 0.45
IDO1 P14902 1/20 0.45
CDK2 P24941 1/20 0.45

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
SCHEMBL6181437 0.85 NOS1 (0.55) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL84390 0.81 MAPT (0.60) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL18559548 0.78 MAPT (0.55) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL18737272 0.78 MAPT (0.50) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL3722916 0.78 MAPT (0.54) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL21510145 0.78 MAPT (0.50) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL6202977 0.78 NOS1 (0.50) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL14534860 0.77 MAPT (0.49) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL14072852 0.75 ALDH1A1 (0.48) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL27735950 0.74 DYRK1A (0.46) NOS1METAP2DYRK1AMAPTKDM4E

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
CN-1056834-C Novel arylindazoles and their use as herbicides ZENECA LTD (GB) 2000-09-27 CN disclosed
EP-0630367-B1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LTD (GB) 2000-07-05 EP disclosed
US-5928998-A PRE- AND POSTEMERGENCE HERBICIDES ZENECA LIMITED (GB) 1999-07-27 US disclosed
US-5444038-A Arylindazoles and their use as herbicides ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0630367-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-12-28 EP disclosed
CN-1079961-A New arylindazoles and they are as the purposes of weedicide SERIAL (GB) 1993-12-29 CN disclosed
WO-1993018008-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1993-09-16 WO disclosed