SCHEMBL24534299

SCHEMBL24534299

N=C1SCC(=O)N1c1cccc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PARP1 P09874 1/20 0.40
HTR1A P08908 2/20 0.40
HTR7 P34969 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
OPRK1 P41145 3/20 0.38
CCR6 P51684 3/20 0.38
MCOLN3 Q8TDD5 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL24534248 0.76 ADRB1 (0.44) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL29110624 0.74 TLR9 (0.47) DRD2DRD4DRD3PARP1HTR1A
SCHEMBL29211014 0.74 KMT2A (0.40) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30514210 0.74 DDB1 (0.39) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30514206 0.74 KMT2A (0.40) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL24534297 0.74 DDB1 (0.39) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL24534319 0.69 KMT2A (0.40) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30514198 0.69 KMT2A (0.40) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL24534298 0.69 POLB (0.50) HTR1AHTR7MEN1KMT2ANPSR1
SCHEMBL30514194 0.69 POLB (0.50) HTR1AHTR7MEN1KMT2ANPSR1

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-2022132609-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-06-23 WO disclosed