SCHEMBL25812022

SCHEMBL25812022

Bc1ccc2c(ccc3c4ccccc4ccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.64
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP1B1 Q16678 2/20 0.58
HIF1A Q16665 1/20 0.58
CYP2A6 P11509 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 4/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
PAX8 Q06710 1/20 0.46
TRPM4 Q8TD43 1/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP2C9 P11712 1/20 0.43

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
SCHEMBL327596 0.98 ALDH1A1 (0.61) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL22705421 0.88 HPRT1 (0.41) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL18828382 0.86 ALDH1A1 (0.64) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL12809407 0.85 ALDH1A1 (0.39) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL27259534 0.81 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL17899358 0.81 CYP11B1 (0.45) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL4853205 0.80 ALDH1A1 (0.89) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL4852455 0.80 ALDH1A1 (0.89) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL4854598 0.80 ALDH1A1 (0.89) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL4854152 0.80 ALDH1A1 (0.89) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A

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
EP-4212517-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2023-07-19 EP disclosed