SCHEMBL2729317

SCHEMBL2729317

C(=NCCN1CCOCC1)=NC1CCCCC1.CS(=O)(=O)O

nearest known ligand 0.80

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 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.80
CYP2C9 P11712 2/20 0.43
EPHX1 P07099 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
HIF1A Q16665 1/20 0.34

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
Sulfuric Acid SCHEMBL31183034 0.95 CYP1A2 (0.84) CYP1A2CYP2C9EPHX1GAAALDH1A1
SCHEMBL53117 0.89 CYP1A2 (1.00) CYP1A2CYP2C9EPHX1GAAALDH1A1
P-Xylene SCHEMBL3752326 0.89 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1TSHR
Chloromethane SCHEMBL11328216 0.88 CYP1A2 (0.91) CYP1A2CYP2C9EPHX1GAAALDH1A1
Hydrochloric Acid SCHEMBL1746114 0.88 CYP1A2 (0.97) CYP1A2CYP2C9EPHX1GAAALDH1A1
SCHEMBL3459786 0.86 CYP1A2 (0.65) CYP1A2CYP2C9GAAALDH1A1TSHR
Carbimide SCHEMBL10416395 0.85 CYP1A2 (0.91) CYP1A2CYP2C9EPHX1GAAALDH1A1
SCHEMBL5484470 0.84 CYP1A2 (0.63) CYP1A2CYP2C9ALDH1A1TSHRPKM
SCHEMBL335423 0.84 CYP1A2 (0.63) CYP1A2CYP2C9ALDH1A1KDM4EPDE4D
SCHEMBL29648226 0.84 CYP1A2 (0.82) CYP1A2CYP2C9EPHX1GAAALDH1A1

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
CN-121574435-A Sodium hyaluronate gel microsphere and preparation method and application thereof 湘潭肃美医疗科技有限公司 2026-02-27 CN claimed
CN-121574435-A Sodium hyaluronate gel microsphere and preparation method and application thereof 湘潭肃美医疗科技有限公司 2026-02-27 CN disclosed
US-9671397-B2 Method for functionalizing surfaces for analyte detection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-06-06 US disclosed
EP-2630494-A1 METHOD FOR FUNCTIONALISING SURFACES FOR ANALYTE DETECTION Centre National De La Recherche Scientifique (FR) 2013-08-28 EP disclosed
US-20130203629-A1 METHOD FOR FUNCTIONALIZING SURFACES FOR ANALYTE DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-08-08 US disclosed
WO-2012052874-A1 METHOD FOR FUNCTIONALISING SURFACES FOR ANALYTE DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-04-26 WO disclosed