SCHEMBL616464

SCHEMBL616464

CCc1nc(CC)nc(-c2ccccc2I)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
CTSG P08311 1/20 0.33
KLK7 P49862 1/20 0.33
KLK14 Q9P0G3 1/20 0.33
KLK5 Q9Y337 1/20 0.33
C1R P00736 4/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
KLK1 P06870 1/20 0.33
PRSS1 P07477 1/20 0.33
C1S P09871 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MAPK1 P28482 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
SCHEMBL24795574 0.73 GPR55 (0.42) LMNATSHRKDM4EALDH1A1
SCHEMBL9637931 0.73 MAPK1 (0.58) LMNATSHRKDM4EALDH1A1CASP3
SCHEMBL28827877 0.71 L3MBTL1 (0.52) LMNAMAPK1
SCHEMBL9566516 0.69 SMN1; SMN2 (0.59) TSHRKDM4EALDH1A1
SCHEMBL18920614 0.69 NPC1 (0.39) C1RF2PLGKLK1PRSS1
SCHEMBL25786652 0.67 ALDH1A1 (0.40) LMNAKDM4EALDH1A1
SCHEMBL23334013 0.67 CSNK2A2 (0.43) LMNAALDH1A1MAPK1
SCHEMBL11978708 0.67 L3MBTL1 (0.58) LMNAALDH1A1MAPK1
SCHEMBL24795571 0.66 ALDH1A1 (0.49) LMNATSHRKDM4EALDH1A1MAPK1
SCHEMBL29940261 0.66 L3MBTL1 (0.38) LMNAALDH1A1MAPK1

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-20120040181-A1 HYBRID MOLECULAR MEMORY WITH HIGH CHARGE RETENTION COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT (FR) 2012-02-16 US disclosed