SCHEMBL8105384

SCHEMBL8105384

O=C1C(O)SCN1c1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX1 P51575 3/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX7 Q99572 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33

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
SCHEMBL8099417 0.86 ADRB1 (0.36) MEN1KMT2A
SCHEMBL8099503 0.85 ALDH1A1 (0.35) PLK1MEN1KMT2AALDH1A1MAPT
SCHEMBL8102941 0.77 MAPT (0.36) PLK1MEN1KMT2AALDH1A1MAPT
SCHEMBL8099176 0.77 DPP4 (0.38) ALDH1A1TSHRLMNA
SCHEMBL8099139 0.76 MAPT (0.36) PLK1MEN1KMT2AALDH1A1MAPT
SCHEMBL5827269 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1POLB
SCHEMBL8089734 0.74 HDAC1 (0.41)
SCHEMBL8789540 0.74 OPRM1 (0.38)
SCHEMBL8787648 0.72 CYP17A1 (0.39) MEN1KMT2AALDH1A1POLB
SCHEMBL8789305 0.69 ALDH1A1 (0.34) ALDH1A1

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