SCHEMBL9015552

SCHEMBL9015552

CCCn1nc(C)c(Sc2ncn(C(=O)N(CC)CC)n2)c1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL9015556 0.90 POLB (0.41) POLBNPSR1
SCHEMBL9359912 0.86 LMNA (0.39) POLB
SCHEMBL9368251 0.77 P2RX7 (0.32) NPSR1
SCHEMBL9378936 0.76 LMNA (0.36) POLBNPSR1
SCHEMBL9015537 0.76 P2RX4 (0.32) NPSR1
SCHEMBL7660067 0.74 LMNA (0.37) POLBNPSR1
SCHEMBL9015546 0.74 DPP4 (0.33) POLBNPSR1ADORA2AADORA2B
SCHEMBL8813071 0.74 PIK3CG (0.38) POLB
SCHEMBL10509749 0.72 NPC1 (0.35) POLBNPSR1ADORA2A
SCHEMBL9491268 0.71 ALDH1A1 (0.40) POLBNPSR1

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