SCHEMBL7690571

SCHEMBL7690571

CN(C)CCOc1cccc2c1S(O)(O)CC2S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR7 P34969 3/20 0.41
HTR1B P28222 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HRH1 P35367 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR6 P50406 1/20 0.36
ESR1 P03372 1/20 0.35

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
Hydrochloric Acid SCHEMBL7254356 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HTR7HTR1B
SCHEMBL7690574 0.88 HTR7 (0.42) ALDH1A1KDM4ESMN1; SMN2HTR7HTR1B
Hydrochloric Acid SCHEMBL7254351 0.87 HTR7 (0.41) ALDH1A1KDM4ESMN1; SMN2HTR7HTR1B
SCHEMBL7126917 0.86 LMNA (0.38)
SCHEMBL7127448 0.86 MEN1 (0.34) ALDH1A1KDM4EHTR7DRD2HTR6
SCHEMBL7135194 0.86 TP53 (0.37) KDM4ESMN1; SMN2HTR7HTR1BHTR6
SCHEMBL7131752 0.86 ALDH1A1 (0.39) ALDH1A1HTR7
Hydrochloric Acid SCHEMBL7158439 0.85 TP53 (0.39) KDM4ESMN1; SMN2HTR7HTR1BHTR6
SCHEMBL7131947 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2HTR7HTR1B
SCHEMBL7129112 0.82 PTGDR2 (0.44) ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed