SCHEMBL23625641

SCHEMBL23625641

Oc1ccc(-c2nnn(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 7/20 0.50
MAPT P10636 5/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCG2 Q9UNQ0 4/20 0.46
ALDH1A1 P00352 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA5 P30532 2/20 0.44
CHRNA4 P43681 2/20 0.44
MMP9 P14780 5/20 0.42
MMP2 P08253 3/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL23625874 0.92 NPC1 (0.50) NPC1RAB9AMAPTPKMMEN1
SCHEMBL23625643 0.91 NPC1 (0.61) NPC1RAB9AMAPTPKMMEN1
SCHEMBL23625879 0.91 NPC1 (0.71) NPC1RAB9AMAPTPKMABCG2
SCHEMBL15483234 0.89 NPC1 (0.48) NPC1RAB9AMAPTPKMMEN1
SCHEMBL31051679 0.89 NPC1 (0.51) NPC1RAB9AMAPTPKMMEN1
SCHEMBL8848782 0.87 MMP9 (0.58) NPC1RAB9AMAPTPKMMEN1
SCHEMBL15481257 0.86 NPC1 (0.49) NPC1RAB9AMAPTPKMMEN1
SCHEMBL18804644 0.81 NPC1 (0.62) NPC1RAB9AMAPTPKMMEN1
SCHEMBL29736032 0.81 NPC1 (0.77) NPC1RAB9AMAPTPKMABCG2
SCHEMBL15481264 0.81 LPL (0.42) NPC1RAB9AMAPTABCG2ALDH1A1

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 5 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-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