SCHEMBL688700

SCHEMBL688700

CCN(C(=O)C(=O)O)c1ccc(OC)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G10 O15496 1/20 0.38
PARP1 P09874 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
GLA P06280 1/20 0.38
CREBBP Q92793 1/20 0.38
MAPT P10636 4/20 0.37
NOS2 P35228 2/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 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
SCHEMBL688778 0.82 CSNK2A1 (0.37) TSHRPARP1GLAMAPTMEN1
SCHEMBL689128 0.82 MAPT (0.37) KDM4ESMN1; SMN2GAATSHRGLA
SCHEMBL689301 0.81 PTPRC (0.34) SMN1; SMN2GAATSHRGLAMAPT
SCHEMBL688883 0.81 KEAP1 (0.38) SMN1; SMN2GAATSHRPARP1GLA
SCHEMBL11347462 0.80 KEAP1 (0.41) KDM4ESMN1; SMN2PLA2G10PARP1CA1
SCHEMBL4995900 0.76 ALDH1A1 (0.47) KDM4ESMN1; SMN2GAATSHRGLA
SCHEMBL12328328 0.73 KDM4E (0.50) KDM4ESMN1; SMN2PARP1CA1CA2
SCHEMBL2835948 0.70 PARP1 (0.55) KDM4ESMN1; SMN2GAATSHRPLA2G10
SCHEMBL7016460 0.70 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2GAAPARP1CA1
SCHEMBL12329333 0.69 KDM4E (0.47) KDM4ESMN1; SMN2PARP1CA1CA2

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-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed