SCHEMBL17944690

SCHEMBL17944690

c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5sc6ccccc6c5c5ccccc45)c4ccccc34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ WEE1 P30291 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PTPN1 P18031 7/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PIM3 Q86V86 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
SCHEMBL17944665 0.97 GPR3 (0.42) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17944283 0.92 CHEK1 (0.42) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17944277 0.90 ESR1 (0.37) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17944410 0.89 GPR3 (0.38) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17945318 0.88 CHEK1 (0.41) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17945211 0.87 PTPN1 (0.39) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17944197 0.87 PTPN1 (0.39) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17944397 0.86 MAPT (0.44) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17945334 0.86 GPR3 (0.38) GPR3CHEK1WEE1L3MBTL1PTPN1
SCHEMBL17944416 0.86 ALDH1A1 (0.38) GPR3CHEK1WEE1L3MBTL1PTPN1

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-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 — — US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 — — US disclosed
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