SCHEMBL7467478

SCHEMBL7467478

COCOc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.41
TXNRD1 Q16881 2/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
CYP19A1 P11511 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALPG P10696 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7462848 0.82 S1PR4 (0.42) S1PR4LMNAKMT2AMEN1MAPT
SCHEMBL7467338 0.79 ALDH1A1 (0.50) LMNAMAPTALDH1A1NPSR1GAA
SCHEMBL7475005 0.79 ALDH1A1 (0.41) LMNAMAPTALDH1A1NPSR1GAA
SCHEMBL7467822 0.78 CA12 (0.48) KMT2AATMMEN1MAPTALDH1A1
SCHEMBL7474948 0.78 ALDH1A1 (0.57) S1PR4LMNAALDH1A1NPSR1GAA
SCHEMBL7474956 0.77 S1PR4 (0.35) S1PR4LMNAKMT2AMEN1ALDH1A1
SCHEMBL9155075 0.77 LMNA (0.44) S1PR4LMNAKMT2AATMMEN1
SCHEMBL6489059 0.73 SMN1; SMN2 (0.50) LMNAMAPTALDH1A1NPSR1GAA
SCHEMBL328454 0.70 ALDH1A1 (0.49) TXNRD1LMNAKMT2AATMMEN1
SCHEMBL27423838 0.70 ALDH1A1 (0.44) S1PR4LMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786457-B1 AZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2002-05-29 EP disclosed
US-5981559-A USEFUL IN PREVENTING OR TREATING ALLERGIC DISEASES, ISCHEMIC HEART DISEASES OR ISCHEMIC BRAIN DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0786457-A1 AZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-30 EP disclosed