SCHEMBL16437622

SCHEMBL16437622

c1ccc(-n2c3ccccc3c3c4sc5ccc6c7ccccc7oc6c5c4ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NR2E3 Q9Y5X4 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR2 Q92731 2/20 0.31
▸ ESR1 P03372 1/20 0.31

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
SCHEMBL17807283 0.86 ALDH1A1 (0.33) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL4554363 0.86 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL16437625 0.84 ALDH1A1 (0.36) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL16437630 0.84 MAPT (0.35) KDM4EALDH1A1HSD17B10POLBMEN1
SCHEMBL16484647 0.84 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL18618913 0.83 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL19830649 0.82 ESR2 (0.33) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL16437616 0.82 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL19830377 0.82 ESR2 (0.32) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL9889944 0.82 KDM4E (0.43) KDM4EATML3MBTL1ALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9755157-B2 Organic compound and organic optoelectric device and display device CHEIL INDUSTRIES, INC. (KR) 2017-09-05 — — US disclosed
US-9755157-B2 Organic compound and organic optoelectric device and display device CHEIL INDUSTRIES, INC. (KR) 2017-09-05 — — US disclosed
US-20150034914-A1 ORGANIC COMPOUND AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE CHEIL INDUSTRIES, INC. (KR) 2015-02-05 — — US disclosed
US-20150034914-A1 ORGANIC COMPOUND AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE CHEIL INDUSTRIES, INC. (KR) 2015-02-05 — — US disclosed
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