SCHEMBL6599031

SCHEMBL6599031

O=S(=O)(N[C@H]1CC[C@@H](c2ccc(O)cc2O)CC1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR1A P08908 5/20 0.45
HTR7 P34969 5/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
DRD3 P35462 2/20 0.45
STS P08842 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAP2K7 O14733 1/20 0.44
MAP2K4 P45985 1/20 0.44
IDH2 P48735 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
UCHL1 P09936 1/20 0.40

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
SCHEMBL5356341 1.00 KMT2A (0.48) KMT2ATDP1HTR1AHTR7DRD2
SCHEMBL5356347 1.00 KMT2A (0.48) KMT2ATDP1HTR1AHTR7DRD2
SCHEMBL5359940 0.88 ALDH1A1 (0.55) KMT2ATDP1DRD2HTR2ADRD3
SCHEMBL5366823 0.88 STS (0.45) KMT2ATDP1HTR1AHTR7STS
SCHEMBL5366806 0.88 ALDH1A1 (0.55) KMT2ATDP1DRD2HTR2ADRD3
SCHEMBL5359944 0.88 ALDH1A1 (0.55) KMT2ATDP1DRD2HTR2ADRD3
SCHEMBL5366825 0.88 STS (0.45) KMT2ATDP1HTR1AHTR7STS
SCHEMBL5363218 0.88 KDM4E (0.44) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL5363211 0.88 KDM4E (0.44) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL5374241 0.87 ALDH1A1 (0.48) KMT2AHTR1AHTR7DRD2HTR2A

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-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP disclosed