SCHEMBL25073441

SCHEMBL25073441

Clc1nc(C2=CC=C(c3ccccc3)CC2)nc(-c2ccc3c(c2)oc2ccccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.42
TTR P02766 2/20 0.36
HPGD P15428 6/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HCRTR1 O43613 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
ATM Q13315 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.32
PTGER4 P35408 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL30343350 0.87 AHR (0.51) AHRTTRHPGDMEN1KMT2A
SCHEMBL19918492 0.87 AHR (0.51) AHRTTRHPGDMEN1KMT2A
SCHEMBL29637769 0.87 AHR (0.51) AHRTTRHPGDMEN1KMT2A
SCHEMBL29363998 0.87 AHR (0.51) AHRTTRHPGDMEN1KMT2A
SCHEMBL29445832 0.86 AHR (0.50) AHRTTRHPGDMEN1KMT2A
SCHEMBL20894620 0.86 AHR (0.50) AHRTTRHPGDMEN1KMT2A
SCHEMBL26598936 0.86 AHR (0.50) AHRTTRHPGDMEN1KMT2A
SCHEMBL30864247 0.86 AHR (0.50) AHRTTRHPGDMEN1KMT2A
SCHEMBL23913788 0.86 AHR (0.50) AHRTTRHPGDMEN1KMT2A
SCHEMBL20792023 0.85 AHR (0.56) AHRTTRHPGDMEN1KMT2A

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
WO-2023022480-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2023-02-23 WO disclosed