SCHEMBL9518528

SCHEMBL9518528

CCCCN1CCOCC1.Cc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46

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
SCHEMBL9520350 0.85 KMT2A (0.58) TSHRTDP1POLBGAALMNA
SCHEMBL9518191 0.84 MEN1 (0.55) POLBGAALMNAALDH1A1MAPK1
SCHEMBL9516934 0.80 RAB9A (0.48) POLBLMNAALDH1A1MAPK1CYP1A2
SCHEMBL9516735 0.79 LMNA (0.48) TSHRTDP1POLBL3MBTL1GAA
Ammonia Solution, Strong SCHEMBL27762705 0.79 MEN1 (0.52) POLBGAALMNAALDH1A1MAPK1
SCHEMBL6917010 0.76 ALDH1A1 (0.55) TSHRTDP1ALDH1A1HTR2AMEN1
SCHEMBL29473347 0.74 ALDH1A1 (0.57) TSHRTDP1ALDH1A1HTR2AMEN1
SCHEMBL6832061 0.74 ALDH1A1 (0.57) TSHRTDP1ALDH1A1HTR2AMEN1
SCHEMBL6829966 0.74 ALDH1A1 (0.57) TSHRTDP1ALDH1A1HTR2AMEN1
SCHEMBL136546 0.74 ALDH1A1 (0.57) TSHRTDP1ALDH1A1HTR2AMEN1

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
EP-0252875-B1 MICROBICIDAL AGENT CIBA-GEIGY AG (CH) 1993-01-27 EP claimed