SCHEMBL7687192

SCHEMBL7687192

C1=Cc2cccc3c2N(C1)CS3.CS(=O)(=O)O

nearest known ligand 0.33

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 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6228672 0.66
SCHEMBL10551325 0.59 ADAMTS4 (0.30) HPGD
SCHEMBL17093144 0.59 AADAT (0.34) MEN1KMT2A
SCHEMBL9811343 0.57 KDM4E (0.31) MAPTHPGDNPSR1
Sulfuric Acid SCHEMBL28623836 0.57 LMNA (0.38) MAPK1NPSR1
SCHEMBL27548363 0.57 MAOB (0.36) HPGD
Methyl Alcohol SCHEMBL29113542 0.57 NOX1 (0.36) MEN1KMT2A
SCHEMBL31141901 0.57
SCHEMBL2174440 0.56 HTR2C (0.43) MEN1TP53MAPTHPGDMAPK1
SCHEMBL30918030 0.56 MGLL (0.40) TP53MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 US disclosed