SCHEMBL23625874

SCHEMBL23625874

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 5/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
MMP9 P14780 3/20 0.41
MMP2 P08253 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA5 P30532 2/20 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
SCHEMBL23625641 0.92 NPC1 (0.57) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL23625879 0.83 NPC1 (0.71) NPC1RAB9AMAPTPKMMMP9
SCHEMBL23625643 0.83 NPC1 (0.61) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL23625872 0.83 NPC1 (0.71) NPC1KMT2ARAB9AMAPTPKM
SCHEMBL15483234 0.81 NPC1 (0.48) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL31051679 0.81 NPC1 (0.51) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL8848782 0.80 MMP9 (0.58) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL15481257 0.79 NPC1 (0.49) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL18804644 0.74 NPC1 (0.62) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL29736032 0.74 NPC1 (0.77) NPC1RAB9AMAPTPKMMMP9

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