SCHEMBL8102941

SCHEMBL8102941

CC(C)(C)NC(=O)OC1SCN(c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX1 P51575 2/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
PLK1 P53350 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ENPP2 Q13822 2/20 0.30
PKM P14618 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
SCHEMBL8099316 0.89 TACR1 (0.33) MAPTTDP1
SCHEMBL8097668 0.83 NR2E1 (0.32)
SCHEMBL8090045 0.83 NTMT1 (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8105898 0.83 EPHX2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL2053916 0.81 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8788621 0.81 ACACB (0.36) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9272668 0.79 CYP17A1 (0.32) MAPT
SCHEMBL8105889 0.77 CACNA1H (0.35) ALDH1A1
SCHEMBL8105384 0.77 PLK1 (0.35) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL8787230 0.77 NTMT1 (0.33) SMN1; SMN2

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