SCHEMBL29321981

SCHEMBL29321981

c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
GPR84 Q9NQS5 2/20 0.41
WDR5 P61964 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL191449 0.94 DNMT1 (0.48) DNMT1ALDH1A1TDP1CYP2A6TSHR
SCHEMBL30034855 0.94 DNMT1 (0.48) DNMT1ALDH1A1TDP1CYP2A6TSHR
Ammonia Solution, Strong SCHEMBL12818906 0.92 DNMT1 (0.47) DNMT1ALDH1A1TDP1CYP2A6TSHR
Phosphine SCHEMBL28227864 0.92 DNMT1 (0.47) DNMT1ALDH1A1TDP1CYP2A6TSHR
Methane SCHEMBL28083172 0.92 DNMT1 (0.47) DNMT1ALDH1A1TDP1CYP2A6TSHR
Hydrogen Sulfide SCHEMBL28212457 0.92 DNMT1 (0.47) DNMT1ALDH1A1TDP1CYP2A6TSHR
SCHEMBL527083 0.88 HPRT1 (0.56) DNMT1ALDH1A1TDP1CYP2A6TSHR
SCHEMBL2694363 0.88 HPRT1 (0.56) DNMT1ALDH1A1TDP1CYP2A6TSHR
SCHEMBL31603915 0.87 ALDH1A1 (0.50) DNMT1ALDH1A1TDP1CYP2A6TSHR
SCHEMBL17442108 0.87 ALDH1A1 (0.50) DNMT1ALDH1A1TDP1CYP2A6TSHR

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
US-20240237383-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2024-07-11 US disclosed