SCHEMBL26045648

SCHEMBL26045648

c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3ccccc3c2)c2cccc3c2ccc2c4ccccc4ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
HPRT1 P00492 3/20 0.39
CYP1B1 Q16678 3/20 0.36
CYP1A1 P04798 2/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.33
ACMSD Q8TDX5 1/20 0.33

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
SCHEMBL24816567 0.95 HSD17B1 (0.39) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL26045649 0.94 HSD17B1 (0.41) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL26045676 0.94 HSD17B1 (0.41) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL26045731 0.94 HPRT1 (0.39) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL26045702 0.93 HSD17B1 (0.41) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL25088120 0.91 CA1 (0.37) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL24919192 0.90 HSD17B1 (0.40) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL26045732 0.90 HPRT1 (0.40) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL26055479 0.90 HPRT1 (0.40) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1
SCHEMBL26055273 0.90 HSD17B1 (0.41) HSD17B1HSD17B2HPRT1CYP1B1CYP1A1

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
WO-2024014934-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-01-18 WO disclosed
WO-2023153905-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-08-17 WO disclosed