SCHEMBL31657005

SCHEMBL31657005

CN(C)CCCCCCN(C)C.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.61

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
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
DNM1 Q05193 4/20 0.50
PAOX Q6QHF9 1/20 0.47
KDM4A O75164 12/20 0.45
KDM4C Q9H3R0 12/20 0.45
KDM5A P29375 1/20 0.45
KDM7A Q6ZMT4 1/20 0.45
PHF8 Q9UPP1 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5604992 0.91 DNM1 (0.68) ALDH1A1TSHRDNM1PAOX
SCHEMBL7938175 0.91 DNM1 (0.68) ALDH1A1TSHRDNM1PAOX
SCHEMBL9249322 0.85 KDM4A (0.62) TSHRPAOXKDM4AKDM4CKDM5A
SCHEMBL26967689 0.84 DNM1 (0.52) ALDH1A1TSHRDNM1PAOXKDM4C
Sulfuric Acid SCHEMBL23248613 0.82 DNM1 (0.71) ALDH1A1TSHRDNM1
Sulfuric Acid SCHEMBL9117833 0.82 DNM1 (0.71) ALDH1A1TSHRDNM1
SCHEMBL7131638 0.82 TDP1 (0.52) ALDH1A1TSHRPAOXKDM4E
Sulfuric Acid SCHEMBL17743602 0.82 DNM1 (0.71) ALDH1A1TSHRDNM1
Sulfuric Acid SCHEMBL8645293 0.82 DNM1 (0.71) ALDH1A1TSHRDNM1
Sulfuric Acid SCHEMBL6684700 0.82 DNM1 (0.71) ALDH1A1TSHRDNM1

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-20250223485-A1 WELLBORE FLUIDS INCLUDING SHALE INHIBITORS, AND RELATED METHODS SCHLUMBERGER TECHNOLOGY CORPORATION 2025-07-10 US disclosed