SCHEMBL8097453

SCHEMBL8097453

COc1ccc(N2CSC(OC(=O)NC(C)(C)C)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.35

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
SCHEMBL8097595 0.88 KMT2A (0.37) SMN1; SMN2ATMALDH1A1KMT2ACASP3
SCHEMBL8105978 0.88 TP53 (0.42) LMNAPOLBTP53MAPTALDH1A1
SCHEMBL8105911 0.87 KMT2A (0.35) LMNAPOLBTP53MAPTKDM4E
SCHEMBL8097540 0.87 POLB (0.36) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL8105898 0.84 EPHX2 (0.35) LMNASMN1; SMN2ALDH1A1
SCHEMBL8103628 0.82 SLC6A4 (0.37) MAPTKDM4ESMN1; SMN2ALDH1A1CYP2D6
SCHEMBL8105889 0.81 CACNA1H (0.35) ALDH1A1CYP2D6
SCHEMBL8105285 0.80 MAPT (0.37) POLBMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8102959 0.80 SMN1; SMN2 (0.38) LMNAMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8098460 0.80 NTMT1 (0.35) TP53MAPTKDM4EALDH1A1KMT2A

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