SCHEMBL9015546

SCHEMBL9015546

CCCn1nc(C)c(S(=O)(=O)c2ncn(C(=O)N(CC)CC)n2)c1C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 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
SCHEMBL9015525 0.91 NPSR1 (0.34) DPP4NPSR1MAPTALDH1A1KDM4E
SCHEMBL9015560 0.82 DPP4 (0.33) DPP4NPSR1ALDH1A1KDM4EKMT2A
SCHEMBL9015538 0.79 DPP4 (0.34) DPP4ALDH1A1KDM4EKMT2A
SCHEMBL9015548 0.78 FPR1 (0.31) DPP4NPSR1
SCHEMBL9378261 0.77 DPP4 (0.36) DPP4NPSR1POLBALDH1A1KDM4E
Cafenstrole SCHEMBL54625 0.77 KMT2A (0.49) DPP4MAPTALDH1A1KDM4EKMT2A
SCHEMBL9015559 0.77 ALDH1A1 (0.39) DPP4NPSR1MAPTPOLBALDH1A1
SCHEMBL3788531 0.75 HTR6 (0.38) DPP4ALDH1A1
SCHEMBL9015552 0.74 POLB (0.35) NPSR1POLBADORA2AADORA2B
SCHEMBL9542985 0.74 DPP4 (0.42) DPP4NPSR1MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510320-A EXCELLENT CONTROL OF BLACKGRASS AND WILD OATS AND OTHER WEEDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-23 US disclosed
WO-1993009100-A1 HERBICIDAL TRIAZOLECARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-13 WO disclosed