SCHEMBL23658447

SCHEMBL23658447

Clc1ccc2c(c1)oc1ccc(I)cc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 11/20 0.61
TTR P02766 3/20 0.42
MCL1 Q07820 1/20 0.39
CDC25A P30304 2/20 0.38
CDC25C P30307 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
DAO P14920 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
SCHEMBL22505850 0.86 MAPT (0.43) AHRALDH1A1LMNAKMT2A
SCHEMBL8128583 0.86 AHR (0.73) AHRTTRMCL1CDC25ACDC25C
SCHEMBL20208918 0.82 AHR (0.72) AHRTTRMCL1CDC25ACDC25C
SCHEMBL20209148 0.82 AHR (0.72) AHRTTRMCL1CDC25ACDC25C
SCHEMBL30170495 0.82 AHR (0.72) AHRTTRMCL1CDC25ACDC25C
SCHEMBL22737968 0.82 AHR (0.78) AHRTTRMCL1CDC25ACDC25C
SCHEMBL1421334 0.82 APP (0.46) AHRALDH1A1LMNAKMT2A
SCHEMBL22078192 0.80 AHR (0.69) AHRTTRMCL1CDC25ACDC25C
SCHEMBL21668972 0.78 AHR (0.61) AHRTTRMCL1CDC25ACDC25C
SCHEMBL19142044 0.78 KDM4E (0.59) AHRALDH1A1LMNAKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023163381-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC MATERIAL LAYER FORMATION COMPOSITION WHICH COMPRISE SAME 엘티소재주식회사 2023-08-31 WO disclosed
WO-2021145651-A1 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-22 WO disclosed