SCHEMBL10429351

SCHEMBL10429351

CCc1ccc(-n2ncc3c(=O)[nH]nnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CREBBP Q92793 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGS2 P35354 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TYK2 P29597 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL10429315 0.81 ALDH1A1 (0.50) LMNAL3MBTL1SMN1; SMN2TP53KDM4E
SCHEMBL10429308 0.81 SMN1; SMN2 (0.50) LMNAL3MBTL1SMN1; SMN2TP53KDM4E
SCHEMBL10429355 0.73 DAPK3 (0.52) LMNASMN1; SMN2TP53KDM4ETSHR
SCHEMBL10429338 0.69 KMT2A (0.46) LMNAL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL17869828 0.65 HTT (0.50) LMNAESR1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL16285366 0.64 MGLL (0.44) SMN1; SMN2TP53KDM4EALDH1A1NPBWR1
SCHEMBL11955384 0.63 SMN1; SMN2 (0.44) LMNAL3MBTL1SMN1; SMN2TP53KDM4E
SCHEMBL10360610 0.62 NPC1 (0.73) LMNAL3MBTL1SMN1; SMN2TP53KDM4E
SCHEMBL28644729 0.62 MGLL (0.46) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL17869860 0.62 HTT (0.67) LMNAESR1L3MBTL1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274654-A2 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-07-20 EP claimed
US-4920119-A XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA HOFFMANN-LA ROCHE INC. (US) 1990-04-24 US disclosed
EP-0274654-A2 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-07-20 EP disclosed