SCHEMBL7461024

SCHEMBL7461024

CN(N)C(=O)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MPO P05164 7/20 0.48
TSHR P16473 1/20 0.48
SLC6A4 P31645 2/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
NOTUM Q6P988 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KMT2A Q03164 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
HTR2A P28223 1/20 0.44
CAPN1 P07384 1/20 0.44
CAPN2 P17655 1/20 0.44

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
SCHEMBL207031 0.88 KDM4E (0.57) KDM4EMPOTSHRSLC6A4ALDH1A1
SCHEMBL7461245 0.82 F7 (0.65)
SCHEMBL5912516 0.81 KDM4E (0.64) KDM4EMPOTSHRSLC6A4ALDH1A1
SCHEMBL7464145 0.80 SLC6A4 (0.49) SLC6A4HTR2A
SCHEMBL785485 0.80 KDM4E (0.62) KDM4EMPOTSHRSLC6A4ALDH1A1
SCHEMBL24243764 0.79 KDM4E (0.55) KDM4EMPOTSHRSLC6A4ALDH1A1
SCHEMBL30622613 0.79 KDM4E (0.55) KDM4EMPOTSHRSLC6A4ALDH1A1
SCHEMBL784795 0.79 KDM4E (0.81) KDM4EMPOTSHRSLC6A4ALDH1A1
SCHEMBL7457775 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2CDK4CCND1KMT2A
SCHEMBL30877199 0.78 ALDH1A1 (0.58) KDM4EMPOTSHRSLC6A4ALDH1A1

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-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed