SCHEMBL24028817

SCHEMBL24028817

Clc1cc2ccc3ccccc3c2c2oc3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ AHR P35869 7/20 0.49
▸ CYP2A6 P11509 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP1A1 P04798 2/20 0.40
▸ FYN P06241 1/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL24028828 0.88 AHR (0.44) L3MBTL1TDP1AHRCYP2A6CYP1A2
SCHEMBL24029169 0.87 AHR (0.44) L3MBTL1TDP1AHRCYP2A6CYP1A2
SCHEMBL24296577 0.86 AHR (0.51) L3MBTL1TDP1AHRCYP2A6SMN1; SMN2
SCHEMBL17264051 0.84 AHR (0.50) L3MBTL1TDP1AHRSMN1; SMN2TTR
SCHEMBL31442196 0.84 AHR (0.50) L3MBTL1TDP1AHRSMN1; SMN2TTR
SCHEMBL24029286 0.83 CYP1A1 (0.49) CYP2A6SMN1; SMN2CYP1A2CYP1A1PAX8
SCHEMBL23690166 0.80 AHR (0.58) AHRSMN1; SMN2TTRMAPTKDM4E
SCHEMBL24028804 0.80 TDP1 (0.45) L3MBTL1TDP1AHRCYP1A2CYP1A1
SCHEMBL24028982 0.78 AHR (0.42) L3MBTL1TDP1AHRCYP1A2CYP1A1
SCHEMBL23512094 0.77 L3MBTL1 (0.53) L3MBTL1TDP1AHRCYP2A6SMN1; SMN2

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-2021230654-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 — — WO disclosed
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