SCHEMBL21314159

SCHEMBL21314159

CS(=O)(=O)[O-].C[n+]1ccn(CCCc2ccccc2)c1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL869646 0.90 NPSR1 (0.51) MAPTNPSR1MEN1APAF1NPC1
Trifluoromethanesulfonic Acid SCHEMBL2830949 0.90 NPSR1 (0.40) MAPTNPSR1MEN1APAF1NPC1
Bromide SCHEMBL2835015 0.89 NPSR1 (0.54) MAPTNPSR1MEN1APAF1NPC1
Hydrochloric Acid SCHEMBL1880315 0.89 NPSR1 (0.50) MAPTNPSR1MEN1APAF1NPC1
SCHEMBL12558221 0.86 NPSR1 (0.54) MAPTNPSR1MEN1APAF1NPC1
SCHEMBL21314161 0.85 NPSR1 (0.46) MAPTNPSR1MEN1APAF1NPC1
SCHEMBL2832102 0.85 NPSR1 (0.46) MAPTNPSR1MEN1APAF1NPC1
SCHEMBL17431224 0.83 PON1 (0.43) MAPTNPSR1MEN1APAF1NPC1
SCHEMBL925001 0.81 KMT2A (0.46) MAPTNPSR1MEN1APAF1NPC1
Hydrochloric Acid SCHEMBL8137482 0.79 KMT2A (0.45) MAPTNPSR1MEN1APAF1NPC1

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-11312852-B2 Method for preparing graft copolymer complex, graft copolymer complex, and thermoplastic resin composition comprising graft copolymer complex LG CHEM, LTD. (KR) 2022-04-26 — — US disclosed
CN-110198962-B Method for preparing graft copolymer composite, and thermoplastic resin composition comprising the same 株式会社LG化学 2022-01-07 — — CN disclosed
EP-3533810-B1 METHOD FOR PREPARING GRAFT COPOLYMER COMPLEX, GRAFT COPOLYMER COMPLEX, AND THERMOPLASTIC RESIN COMPOSITION COMPRISING THE GRAFT COPOLYMER COMPLEX LG CHEMICAL LTD (KR) 2021-04-21 — — EP disclosed
EP-3533810-A1 METHOD FOR PRODUCING GRAFT COPOLYMER COMPOSITE, GRAFT COPOLYMER COMPOSITE, AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME LG Chem, Ltd. (KR) 2019-09-04 — — EP disclosed
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