SCHEMBL29252103

SCHEMBL29252103

CCCCc1ccn(CCC)c1.CS(=O)(=O)O

nearest known ligand 0.43

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
DRD2 known ✓ P14416 1/20 0.34
HTR2A known ✓ P28223 1/20 0.34
HTR2C known ✓ P28335 1/20 0.34
DRD3 known ✓ P35462 1/20 0.34
CA2 P00918 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 3/20 0.38
PLK1 P53350 1/20 0.37
POLB P06746 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.35
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL30330001 0.94 SMN1; SMN2 (0.39) CA2SMN1; SMN2KDM4EHPGDPLK1
SCHEMBL30330031 0.91 NPC1 (0.44) CA2SMN1; SMN2KDM4EPOLBCA12
SCHEMBL30330504 0.91 NPC1 (0.44) CA2SMN1; SMN2KDM4EPOLBCA12
SCHEMBL30329715 0.91 NPC1 (0.44) CA2SMN1; SMN2KDM4EPOLBCA12
SCHEMBL30329885 0.91 NPC1 (0.44) CA2SMN1; SMN2KDM4EPOLBCA12
SCHEMBL31318600 0.91 NPC1 (0.44) CA2SMN1; SMN2KDM4EPOLBCA12
SCHEMBL30330757 0.91 NPC1 (0.44) CA2SMN1; SMN2KDM4EPOLBCA12
SCHEMBL29251958 0.90 CA2 (0.36) CA2KDM4EPLK1POLBCA12
SCHEMBL30330790 0.89 CA2 (0.40) CA2SMN1; SMN2KDM4EHPGDPLK1
SCHEMBL30212935 0.88 NPC1 (0.37) CA2SMN1; SMN2KDM4EHPGDPLK1

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
CN-117999475-A Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2024-05-07 CN disclosed
WO-2023046704-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2023-03-30 WO disclosed