SCHEMBL9568253

SCHEMBL9568253

O=[C]N1c2ccccc2Sc2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC3 O15379 1/20 0.40
KDM1A O60341 3/20 0.40
BCHE P06276 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 2/20 0.38
NOX1 Q9Y5S8 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLA P06280 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1597715 0.80 MAOA (0.52) KMT2AMEN1BCHEMAOAACHE
Hydrochloric Acid SCHEMBL8805018 0.72 BCHE (0.53) KMT2AMEN1HDAC6HDAC1HDAC8
SCHEMBL8805014 0.72 BCHE (0.53) KMT2AMEN1HDAC6HDAC1HDAC8
SCHEMBL25388003 0.72 NOX1 (0.68) KMT2AMEN1HDAC6HDAC1HDAC8
SCHEMBL21693081 0.71 KMT2A (0.51) KMT2AMEN1HDAC6HDAC1HDAC8
SCHEMBL28953196 0.70 KMT2A (0.50) KMT2AMEN1HDAC6HDAC1HDAC8
SCHEMBL8809142 0.70 HDAC6 (0.49) KMT2AMEN1HDAC6HDAC1HDAC8
SCHEMBL9100589 0.69 KMT2A (0.49) KMT2AMEN1HDAC6HDAC1HDAC8
SCHEMBL9474423 0.69 BCHE (0.49) KMT2AMEN1HDAC6HDAC1HDAC8
SCHEMBL9104540 0.69 KMT2A (0.49) KMT2AMEN1HDAC6HDAC1HDAC8

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
EP-0527298-A1 Process for the preparation of pipazethate ASTA Medica Aktiengesellschaft (DE) 1993-02-17 EP disclosed