SCHEMBL21293881

SCHEMBL21293881

[Cu].c1ccc(Cn2cc(CN(Cc3cn(Cc4ccccc4)nn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.80
CYP19A1 P11511 10/20 0.62
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
HRH4 Q9H3N8 1/20 0.55

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
SCHEMBL230368 0.98 HSP90AB1 (0.82) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL30959784 0.97 HSP90AB1 (0.80) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL18028297 0.90 HSP90AB1 (0.70) HSP90AB1CYP19A1NPC1RAB9A
SCHEMBL10044915 0.89 HSP90AB1 (0.69) HSP90AB1CYP19A1NPC1RAB9AHRH4
Sulfuric Acid SCHEMBL28657977 0.88 HSP90AB1 (0.68) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL15425743 0.87 CYP19A1 (0.67) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL17104470 0.86 CYP19A1 (0.67) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL805203 0.86 HSP90AB1 (0.65) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL29055929 0.85 CYP19A1 (0.65) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL16463657 0.84 HSP90AB1 (0.63) HSP90AB1CYP19A1NPC1RAB9AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979772-B Magnetic bead with low cleaning residue and preparation method thereof 江苏集萃分子工程研究院有限公司 2022-06-24 CN claimed
CN-112979772-A Magnetic bead with low cleaning residue and preparation method thereof 江苏集萃分子工程研究院有限公司 2021-06-18 CN claimed
US-11506670-B2 Method of genome-wide direct identification of electrophile-sensing targets CORNELL UNIVERSITY (US) 2022-11-22 US disclosed
CN-112979772-B Magnetic bead with low cleaning residue and preparation method thereof 江苏集萃分子工程研究院有限公司 2022-06-24 CN disclosed
CN-112979772-B Magnetic bead with low cleaning residue and preparation method thereof 江苏集萃分子工程研究院有限公司 2022-06-24 CN disclosed
CN-112979772-A Magnetic bead with low cleaning residue and preparation method thereof 江苏集萃分子工程研究院有限公司 2021-06-18 CN disclosed
CN-112979772-A Magnetic bead with low cleaning residue and preparation method thereof 江苏集萃分子工程研究院有限公司 2021-06-18 CN disclosed
US-20190265250-A1 METHOD OF GENOME-WIDE DIRECT IDENTIFICATION OF ELECTROPHILE-SENSING TARGETS CORNELL UNIVERSITY 2019-08-29 US disclosed