SCHEMBL7859137

SCHEMBL7859137

O=C(c1ccc(O)c(OCCCCl)c1)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TNF P01375 5/20 0.48
TNFSF11 O14788 3/20 0.48
HTR6 P50406 6/20 0.45
DRD2 P14416 3/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 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
SCHEMBL7859401 0.85 MEN1 (0.60) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7860372 0.83 PLK1 (0.45) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8715760 0.78 ALDH1A1 (0.52) LMNAHTR6DRD2HDAC1HDAC2
SCHEMBL8719842 0.74 HTR6 (0.47) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7853702 0.73 MEN1 (0.45) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7853706 0.73 MEN1 (0.45) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8998784 0.70 LMNA (0.74) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL948989 0.70 AKR1C3 (0.83) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27512717 0.69 SRD5A1 (0.52)
SCHEMBL4926276 0.68 LMNA (0.74) PLK1MEN1KMT2ALMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753511-B1 4-INDOL-1-YL BUTYRIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ALPHA1-ADRENERGIC RECEPTORS AND TESTOSTERONE 5ALPHA-REDUCTASES ZERIA PHARM CO LTD (JP) 2001-07-11 EP disclosed
CN-1067985-C Indole derivative and medicine containing the same ZERIA PHARM CO LTD (JP) 2001-07-04 CN disclosed
CN-1145617-A Indole derivatives and drugs containing the same ZERIA PHARM CO LTD (JP) 1997-03-19 CN disclosed
EP-0753511-A1 INDOLE DERIVATIVE AND MEDICINE CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-15 EP disclosed