SCHEMBL8524686

SCHEMBL8524686

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2nnc3ccccc32)cc1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 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
SCHEMBL8524690 0.91 CA1 (0.40) TP53ALOX12LMNAKDM4ESMN1; SMN2
SCHEMBL8525770 0.82 HCRTR2 (0.41) CYP3A4ALDH1A1MEN1KMT2AHCRTR2
SCHEMBL8490872 0.81 KDM4E (0.33) TP53LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL8492214 0.81 KDM4E (0.37) TP53LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL8524135 0.79 SMN1; SMN2 (0.39) TP53KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8487692 0.79 KMT2A (0.39) LMNAKDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL8488620 0.79 NPC1 (0.35) TP53LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL8524545 0.77 KMT2A (0.33) TP53ALOX12LMNAKDM4ESMN1; SMN2
SCHEMBL7613973 0.77 MLYCD (0.41) LMNAKDM4ECYP2C9CYP2C19CYP1A2
SCHEMBL8892752 0.74 ALDH1A1 (0.38) LMNAKDM4ESMN1; SMN2HSD17B10CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed