SCHEMBL23625631

SCHEMBL23625631

c1ccc(-c2nnn(CCCCCCn3nnc(-c4ccccc4)n3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
USP2 O75604 2/20 0.60
TSHR P16473 1/20 0.60
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL23625644 0.98 RAB9A (0.65) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL26717815 0.92 TRPV1 (0.56) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4404394 0.92 TRPV1 (0.56) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4403796 0.90 RAB9A (0.56) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4411938 0.87 RAB9A (0.57) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL454811 0.87 RAB9A (0.57) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL454812 0.87 LTA4H (0.61) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4405908 0.83 RAB9A (0.61) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL3927281 0.83 MAOB (0.67) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL27810679 0.83 RAB9A (0.61) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19

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-4085093-B1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS INCLUDING POLYTETRAZOLE CROSS-LINKING AGENTS AND TYRES COMPRISING THE SAME PIRELLI (IT) 2023-11-08 EP 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-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