SCHEMBL9545374

SCHEMBL9545374

CS(=O)(=O)O.O=S(=O)(CCC(F)=C(F)F)c1cccc(O)n1

nearest known ligand 0.34

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 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9545376 0.78 MAPT (0.30) MAPTLMNASMN1; SMN2
SCHEMBL9545545 0.75 POLB (0.38) MAPTLMNASMN1; SMN2
SCHEMBL9545464 0.74 ALDH1A1 (0.38) MAPTLMNA
SCHEMBL10746476 0.65 CXCR2 (0.31) LMNA
SCHEMBL22577424 0.60 ALDH1A1 (0.36) MAPT
SCHEMBL23388370 0.59 TXNRD1 (0.41) MAPTLMNASMN1; SMN2
SCHEMBL9214685 0.59 CA2 (0.32)
SCHEMBL778587 0.59 LMNA (0.45) MAPTLMNASMN1; SMN2
SCHEMBL20506736 0.57 HSD11B1 (0.43) MAPTLMNASMN1; SMN2
SCHEMBL16234260 0.57 PSIP1 (0.39)

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
WO-1993021150-A2 ARTHROPODICIDAL ARYL SULFONATES DUNLENA PTY. LTD. (AU) 1993-10-28 WO disclosed