SCHEMBL11246089

SCHEMBL11246089

NNC(=O)c1cc(-c2ccncc2)nn(CCCO)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
MAPT P10636 2/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MPO P05164 1/20 0.37

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
SCHEMBL11246765 0.96 HDAC1 (0.41) KDM4ERAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL11241157 0.93 KDM4E (0.43) KDM4ERAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL11245678 0.88 CASP1 (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11231677 0.87 CNR1 (0.43) KDM4ERAB9ASMN1; SMN2MAPTCNR1
SCHEMBL11247419 0.87 KDM4E (0.44) KDM4ERAB9ASMN1; SMN2HDAC1MAPT
SCHEMBL11233306 0.86 DHODH (0.40) KDM4ESMN1; SMN2HDAC1HDAC3HDAC4
SCHEMBL11242717 0.84 CASP1 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11242637 0.84 KDM4E (0.46) KDM4ERAB9ASMN1; SMN2HDAC1MAPT
SCHEMBL11246807 0.83 DHODH (0.40) KDM4ESMN1; SMN2HDAC1HDAC3HDAC4
SCHEMBL11245256 0.81 AURKB (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed