SCHEMBL22495739

SCHEMBL22495739

O=S(=O)(c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.69
▸ ALDH1A1 P00352 4/20 0.65
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ MAPK1 P28482 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ CASP1 P29466 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ PKM P14618 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ GFER P55789 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HTR6 P50406 1/20 0.51

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
SCHEMBL2064358 0.86 NPC1 (0.71) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL12799147 0.86 NPC1 (0.71) MAPTALDH1A1NPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL2159983 0.84 NPC1 (0.69) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL1821338 0.84 ALDH1A1 (0.70) MAPTALDH1A1NPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL22031645 0.82 MAPT (0.68) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL5760520 0.80 NPC1 (0.65) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL16404482 0.80 MAPT (0.64) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL23053350 0.79 MAPT (0.67) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL18118191 0.77 LMNA (0.68) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL1970481 0.77 LMNA (0.58) MAPTALDH1A1RAB9AMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844274-B2 Organic electroluminescence device and compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 — — US disclosed
US-11844274-B2 Organic electroluminescence device and compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 — — US disclosed
US-11844274-B2 Organic electroluminescence device and compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 — — US disclosed
CN-111793028-A Organic electroluminescent device and compound for organic electroluminescent device 三星显示有限公司 2020-10-20 — — CN disclosed
US-20200321535-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2020-10-08 — — US disclosed
US-20200321535-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2020-10-08 — — US disclosed
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