SCHEMBL28652692

SCHEMBL28652692

Cc1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(C)cc3)[n+]2-c2ccncc2)cc1.F[B-](F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.57
▸ RAB9A P51151 12/20 0.57
▸ NTSR1 P30989 3/20 0.57
▸ RCE1 Q9Y256 1/20 0.55
▸ USP2 O75604 1/20 0.51
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ UHRF1 Q96T88 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ GCGR P47871 1/20 0.37

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
SCHEMBL20358292 1.00 NPC1 (0.57) NPC1RAB9ANTSR1RCE1USP2
SCHEMBL20358080 1.00 NPC1 (0.57) NPC1RAB9ANTSR1RCE1USP2
SCHEMBL20357895 1.00 NPC1 (0.57) NPC1RAB9ANTSR1RCE1USP2
SCHEMBL16564290 0.98 NPC1 (0.59) NPC1RAB9ANTSR1RCE1USP2
SCHEMBL28925264 0.97 NPC1 (0.57) NPC1RAB9ANTSR1RCE1USP2
SCHEMBL20365744 0.94 NPC1 (0.61) NPC1RAB9ANTSR1RCE1USP2
SCHEMBL16563220 0.90 NPC1 (0.51) NPC1RAB9ANTSR1RCE1USP2
SCHEMBL20357007 0.87 NPC1 (0.51) NPC1RAB9ANTSR1RCE1USP2
SCHEMBL20358566 0.85 NPC1 (0.59) NPC1RAB9ANTSR1RCE1MEN1
SCHEMBL20357047 0.83 NPC1 (0.44) NPC1RAB9ANTSR1RCE1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922830-B Electrochromic compounds and optical articles containing them 依视路国际公司 2021-08-20 — — CN disclosed
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