SCHEMBL4370720

SCHEMBL4370720

Cc1nn(CC=O)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.58
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 3/20 0.40
ELANE P08246 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL18967159 0.83 GLS (0.64) GLSLMNANPSR1ELANERAB9A
SCHEMBL12253484 0.83 GLS (0.58) GLSLMNANPSR1RAB9AL3MBTL1
SCHEMBL14396669 0.79 HSD17B10 (0.36) GLSLMNANPSR1SMN1; SMN2L3MBTL1
SCHEMBL6090368 0.78 GLS (0.66) GLSLMNANPSR1ELANERAB9A
SCHEMBL18967423 0.78 ADORA2A (0.40) GLSLMNAELANEHPGDKDM4E
SCHEMBL19158896 0.78 ELANE (0.42) LMNANPSR1ELANESMN1; SMN2CYP1A2
SCHEMBL15241840 0.77 GLS (0.64) GLSLMNANPSR1ELANERAB9A
SCHEMBL25757542 0.76 L3MBTL1 (0.60) GLSLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL18967142 0.75 PTGER4 (0.44) ELANERAB9AL3MBTL1HPGDKDM4E
SCHEMBL19596918 0.75 GLS (0.72) GLSLMNANPSR1ELANEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017098328-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHAMACEUTICALS, INC. (BB) 2017-06-15 WO disclosed
EP-1750696-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-07-15 EP disclosed
EP-1750696-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2007-02-14 EP disclosed
WO-2005110428-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed