SCHEMBL6509472

SCHEMBL6509472

c1ccc2c(-c3cccc4snnc34)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL164438 0.78 ALDH1A1 (0.42) MAPTLMNAMEN1HTTKMT2A
SCHEMBL29039582 0.77 HPGD (0.36) MAPTLMNAMEN1HTTKMT2A
SCHEMBL28950341 0.74 ALDH1A1 (0.38) MAPTLMNAMEN1HTTKMT2A
SCHEMBL9901431 0.74 HPRT1 (0.50) MAPTLMNAMEN1HTTKMT2A
SCHEMBL12637452 0.72 ALDH1A1 (0.41) MAPTALOX15KDM4EALDH1A1HPGD
SCHEMBL25302086 0.72 ALDH1A1 (0.59) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29350007 0.72 ALDH1A1 (0.59) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27953 0.72 ALDH1A1 (0.59) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17538813 0.71 APP (0.32)
SCHEMBL4164910 0.71 KDM4E (0.30) KDM4EMAPK1ATM

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
WO-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 WO claimed
WO-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 WO disclosed