SCHEMBL23625628

SCHEMBL23625628

c1ccc(-n2nnc(-c3ccc(-c4ccc(-c5nnn(-c6ccccc6)n5)cc4)cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.69
ABCG2 Q9UNQ0 3/20 0.66
RAB9A P51151 7/20 0.65
MAPT P10636 4/20 0.54
PKM P14618 1/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNA5 P30532 1/20 0.53
CHRNA4 P43681 1/20 0.53
GRM5 P41594 2/20 0.53
MMP9 P14780 3/20 0.51
MMP2 P08253 2/20 0.51
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCB1 P08183 1/20 0.48

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
SCHEMBL23625647 0.98 NPC1 (0.71) NPC1ABCG2RAB9AMAPTPKM
SCHEMBL29736032 0.94 NPC1 (0.77) NPC1ABCG2RAB9AMAPTPKM
SCHEMBL2210517 0.94 NPC1 (0.77) NPC1ABCG2RAB9AMAPTPKM
Hydrochloric Acid SCHEMBL1219233 0.92 NPC1 (0.74) NPC1ABCG2RAB9AMAPTPKM
Bromide SCHEMBL28209866 0.92 NPC1 (0.74) NPC1ABCG2RAB9AMAPTPKM
Hydrochloric Acid SCHEMBL8698170 0.92 NPC1 (0.74) NPC1ABCG2RAB9AMAPTPKM
Hydrochloric Acid SCHEMBL8698166 0.92 NPC1 (0.74) NPC1ABCG2RAB9AMAPTPKM
Bromide SCHEMBL146883 0.92 NPC1 (0.74) NPC1ABCG2RAB9AMAPTPKM
Bromide SCHEMBL28209867 0.92 NPC1 (0.74) NPC1ABCG2RAB9AMAPTPKM
Bromide SCHEMBL28286654 0.90 NPC1 (0.72) NPC1ABCG2RAB9AMAPTPKM

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