SCHEMBL9015556

SCHEMBL9015556

CCN(CC)C(=O)n1cnc(Sc2c(C)nn(CC)c2C)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ATM Q13315 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
SCHEMBL9015552 0.90 POLB (0.35) POLBNPSR1
SCHEMBL9359912 0.86 LMNA (0.39) POLBKDM4ESMN1; SMN2LMNAHTT
SCHEMBL9368251 0.79 P2RX7 (0.32) NPSR1
SCHEMBL9378936 0.78 LMNA (0.36) POLBNPSR1SMN1; SMN2LMNATDP1
SCHEMBL9015537 0.78 P2RX4 (0.32) NPSR1SMN1; SMN2RAB9ATDP1
SCHEMBL7660067 0.76 LMNA (0.37) POLBNPSR1SMN1; SMN2LMNATDP1
SCHEMBL8813071 0.76 PIK3CG (0.38) POLBSMN1; SMN2LMNARAB9A
SCHEMBL9015525 0.73 NPSR1 (0.34) KDM4ENPSR1SMN1; SMN2LMNAHTT
SCHEMBL9491268 0.73 ALDH1A1 (0.40) POLBNPSR1SMN1; SMN2LMNATDP1
SCHEMBL10509749 0.72 NPC1 (0.35) POLBKDM4ENPSR1SMN1; SMN2LMNA

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
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