SCHEMBL8098665

SCHEMBL8098665

O=C1C(Br)CON1c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX5 P09917 1/20 0.42
HTT P42858 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR7 P34969 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
NOTUM Q6P988 1/20 0.40
AR P10275 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL8098851 0.86 NOTUM (0.41) MEN1KMT2AALDH1A1ALOX5HTT
SCHEMBL8098684 0.83 NOTUM (0.43) MEN1KMT2AALDH1A1ALOX5HTT
SCHEMBL8099014 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1ALOX5HTT
SCHEMBL8098471 0.77 NOTUM (0.42) MEN1KMT2AALDH1A1ALOX5HTT
SCHEMBL8099193 0.76 NOTUM (0.41) MEN1KMT2AALDH1A1ALOX5HTT
SCHEMBL8098439 0.76 NOTUM (0.44) MEN1KMT2AALDH1A1ALOX5HTT
SCHEMBL965009 0.73 CA12 (0.54) MEN1KMT2AALDH1A1ALOX5HTR3E
SCHEMBL8563716 0.73 CA12 (0.54) MEN1KMT2AALDH1A1ALOX5HTR3E
SCHEMBL8103981 0.72 MEN1 (0.49) MEN1KMT2AALDH1A1ALOX5HTT
SCHEMBL8097766 0.72 CYP1A2 (0.38) MEN1KMT2AALDH1A1MAPTTHRB

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-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed