SCHEMBL7694864

SCHEMBL7694864

O=C(c1cccc2c1C(S(=O)(=O)c1ccccc1)CS2(O)O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
HTT P42858 4/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 3/20 0.53
USP2 O75604 1/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 4/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ACACB O00763 1/20 0.49

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 SCHEMBL7173507 0.99 NR1H4 (0.56) NR1H4HTTLMNASMN1; SMN2TP53
SCHEMBL7694862 0.92 NR1H4 (0.56) NR1H4HTTLMNASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL7173503 0.91 NR1H4 (0.56) NR1H4HTTLMNASMN1; SMN2TP53
SCHEMBL7134761 0.87 LMNA (0.51) HTTLMNASMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7130689 0.86 LMNA (0.50) HTTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7134799 0.86 LMNA (0.45) HTTLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7133459 0.85 LMNA (0.48) HTTLMNASMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7699759 0.85 LMNA (0.45) HTTLMNASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7155908 0.84 LMNA (0.47) HTTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7129862 0.80 LMNA (0.46) LMNASMN1; SMN2ALDH1A1USP2

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