SCHEMBL29319400

SCHEMBL29319400

c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CYP1A2 P05177 4/20 0.34
CTRC Q99895 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NTSR1 P30989 1/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
CYP17A1 P05093 1/20 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
SCHEMBL23965076 0.94 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2CTRCHSD17B1
SCHEMBL21151255 0.93 MEN1 (0.36) CYP1A2CTRCMEN1KMT2AALDH1A1
SCHEMBL23965323 0.92 MEN1 (0.35) CYP1A1CYP1B1CYP1A2HSD17B1HSD17B2
SCHEMBL23965080 0.92 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2CTRCHSD17B1
SCHEMBL22077803 0.91 MEN1 (0.36) CYP1A2MEN1KMT2AALDH1A1HPGD
SCHEMBL21151977 0.91 MEN1 (0.36) CYP1A2MEN1KMT2AALDH1A1HPGD
SCHEMBL21477970 0.89 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2CTRCMEN1
SCHEMBL23965324 0.89 KDM4E (0.34) CYP1A1CYP1B1CYP1A2HSD17B1HSD17B2
SCHEMBL22100219 0.89 MEN1 (0.36) CYP1A1CYP1B1CYP1A2HSD17B1HSD17B2
SCHEMBL23965257 0.88 MEN1 (0.35) CYP1A1CYP1B1CYP1A2HSD17B1HSD17B2

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
US-20240244970-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244970-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed