SCHEMBL23625639

SCHEMBL23625639

c1ccc(COc2ccc(-c3nnn(-c4ccc(OCc5ccccc5)cc4)n3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
GRM5 P41594 1/20 0.47

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
SCHEMBL8807192 0.82 MAOB (0.70) MAOBNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL27574713 0.80 MAOB (0.44) MAOBNPC1MEN1KMT2AGRM5
SCHEMBL29736032 0.78 NPC1 (0.77) NPC1RAB9AL3MBTL1GRM5
SCHEMBL9462546 0.78 MAOB (0.77) MAOBRECQLTDP1
SCHEMBL9463076 0.78 MAOB (0.62) MAOBNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL400408 0.78 NPC1 (0.70) MAOBNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL14527002 0.78 MAOB (0.77) MAOBNPC1RAB9AL3MBTL1
SCHEMBL23625647 0.78 NPC1 (0.71) NPC1RAB9AL3MBTL1GRM5
SCHEMBL5015662 0.77 MEN1 (0.73) MAOBSMN1; SMN2RECQLTDP1MEN1
SCHEMBL23625628 0.77 NPC1 (0.69) NPC1RAB9AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085093-B1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS INCLUDING POLYTETRAZOLE CROSS-LINKING AGENTS AND TYRES COMPRISING THE SAME PIRELLI (IT) 2023-11-08 EP disclosed
US-20230257552-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS COMPRISING TETRAZOLE COMPATIBILIZING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2023-08-17 US disclosed
US-20230257552-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS COMPRISING TETRAZOLE COMPATIBILIZING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2023-08-17 US disclosed
US-20230058851-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS INCLUDING POLYTETRAZOLE CROSS-LINKING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2023-02-23 US disclosed
WO-2021260635-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS COMPRISING TETRAZOLE COMPATIBILIZING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2021-12-30 WO disclosed
WO-2021137143-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS INCLUDING POLYTETRAZOLE CROSS-LINKING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2021-07-08 WO disclosed