SCHEMBL8105285

SCHEMBL8105285

Cc1ccc(N2CSC(OC(=O)NC(C)(C)C)C2=O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.35
PKM P14618 1/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 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
SCHEMBL8103628 0.91 SLC6A4 (0.37) MAPTKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8105610 0.88 CYP1A2 (0.41) MAPTKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8103924 0.87
SCHEMBL8105911 0.85 KMT2A (0.35) MAPTKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL8098702 0.85 ALDH1A1 (0.38) KMT2AALDH1A1HPGDMEN1
SCHEMBL8097866 0.85 NOTUM (0.41)
SCHEMBL8097595 0.84 KMT2A (0.37) KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8105889 0.84 CACNA1H (0.35) ALDH1A1
SCHEMBL8102959 0.83 SMN1; SMN2 (0.38) MAPTALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL8097540 0.81 POLB (0.36) MAPTALDH1A1HPGDSMN1; SMN2GAA

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