SCHEMBL28635601

SCHEMBL28635601

N#Cc1cccc(Oc2ccc(C=O)cc2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.39
MAPK14 Q16539 2/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
TLR8 Q9NR97 2/20 0.37
TTR P02766 1/20 0.37
CYP2A6 P11509 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36

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
SCHEMBL8546251 0.91 ALDH1A1 (0.46) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL3164186 0.86 GAA (0.63) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL6367706 0.85 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL18712914 0.84 ALDH1A1 (0.41) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL9359794 0.81 KDM4E (0.54) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL9745478 0.81 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL9745662 0.81 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL20511067 0.81 KDM4E (0.54) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL30360768 0.81 KDM4E (0.54) KDM4ESMN1; SMN2GAAPOLBALDH1A1
SCHEMBL669346 0.80 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2GAAPOLBALDH1A1

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
CN-109529931-B Graphene oxide covalent immobilized metal phthalocyanine catalyst and preparation method and application thereof 中北大学 2021-09-28 CN claimed
CN-109529931-B Graphene oxide covalent immobilized metal phthalocyanine catalyst and preparation method and application thereof 中北大学 2021-09-28 CN disclosed