SCHEMBL8809142

SCHEMBL8809142

O=C(Cl)ON1c2ccccc2Sc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HDAC3 O15379 1/20 0.45
BCHE P06276 9/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 3/20 0.41
NOX1 Q9Y5S8 1/20 0.41
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL8788369 0.85 BCHE (0.53) KMT2AMEN1BCHEACHENOX1
SCHEMBL8805014 0.79 BCHE (0.53) HDAC6HDAC1HDAC8KMT2AMEN1
SCHEMBL25388003 0.74 NOX1 (0.68) HDAC6HDAC1HDAC8KMT2AMEN1
Hydrochloric Acid SCHEMBL8805018 0.74 BCHE (0.53) HDAC6HDAC1HDAC8KMT2AMEN1
SCHEMBL9474423 0.70 BCHE (0.49) HDAC6HDAC1HDAC8KMT2AMEN1
SCHEMBL9568253 0.70 KMT2A (0.55) HDAC6HDAC1HDAC8KMT2AMEN1
SCHEMBL9475584 0.69 NOX1 (0.53) HDAC6HDAC1HDAC8KMT2AMEN1
SCHEMBL21693081 0.67 KMT2A (0.51) HDAC6HDAC1HDAC8KMT2AMEN1
Hydrochloric Acid SCHEMBL2266107 0.66 BCHE (0.66) BCHEACHENOX1
Hydrochloric Acid SCHEMBL2363423 0.66 BCHE (0.66) BCHEACHENOX1

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
EP-0527298-B1 Process for the preparation of pipazethate ASTA MEDICA AG (DE) 1997-07-30 EP claimed
EP-0527298-A1 Process for the preparation of pipazethate ASTA Medica Aktiengesellschaft (DE) 1993-02-17 EP claimed