SCHEMBL8068934

SCHEMBL8068934

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccc(S(=O)(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.51
CCR2 P41597 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
PARP1 P09874 1/20 0.45
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8073771 0.91 KMT2A (0.58) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL8444778 0.88 SLC9A1 (0.50) SIGMAR1CCR2KMT2AMEN1
Hydrochloric Acid SCHEMBL8068489 0.87 SLC9A1 (0.49) SIGMAR1CCR2KMT2AMEN1
SCHEMBL8444776 0.87 SIGMAR1 (0.46) SIGMAR1CCR2KMT2AMEN1PARP1
Hydrochloric Acid SCHEMBL8068487 0.86 SIGMAR1 (0.45) SIGMAR1CCR2KMT2AMEN1PARP1
SCHEMBL8059678 0.82 NPSR1 (0.44) KMT2APOLBTP53L3MBTL1LMNA
Piperidine SCHEMBL8068938 0.80 TSHR (0.42) CCR2KMT2APOLBL3MBTL1LMNA
SCHEMBL8068849 0.80 ALDH1A1 (0.54) SIGMAR1KMT2APOLBMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL8077076 0.79 KMT2A (0.52) KMT2AMEN1POLBMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8077073 0.78 KMT2A (0.51) KMT2AMEN1POLBMAPK1KDM4E

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
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed