SCHEMBL9851949

SCHEMBL9851949

O=c1c2ccccc2sc2c(Br)cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
HCRTR1 O43613 1/20 0.47
KDM4E B2RXH2 3/20 0.46
CYP19A1 P11511 1/20 0.46
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR3 P46089 1/20 0.41
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL232632 0.84 GPR3 (0.54) ALDH1A1MAPTL3MBTL1KDM4ERAB9A
SCHEMBL22337191 0.82 KDM4E (0.38) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL18434812 0.78 MAPT (0.47) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL9844711 0.78 CYP19A1 (0.49) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL8411752 0.78 ALDH1A1 (0.55) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL150108 0.78 KDM4E (0.54) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL1042694 0.78 MAPT (0.64) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL8813719 0.78 ALDH1A1 (0.47) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL30162032 0.78 ALDH1A1 (0.55) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL22337134 0.77 CYP1A1 (0.49) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380842-A 4,4' -substituted spiro-dithiane hole transport material and preparation method and application thereof 广东粤港澳大湾区黄埔材料研究院 2022-04-22 CN claimed
CN-119320401-A Carbonyl condensed boron heterocyclic compound and preparation method and application thereof 华南理工大学 2025-01-17 CN disclosed
CN-114380842-B 4,4' -substituted spiro-dithioxanthene hole transport material and preparation method and application thereof 广东粤港澳大湾区黄埔材料研究院 2023-11-10 CN disclosed
CN-114380842-A 4,4' -substituted spiro-dithiane hole transport material and preparation method and application thereof 广东粤港澳大湾区黄埔材料研究院 2022-04-22 CN disclosed
WO-2021045444-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-03-11 WO disclosed
WO-2021045444-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-03-11 WO disclosed
EP-0441221-A1 Method for preventing the appearance of efflorescence of mineral substrates BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed