SCHEMBL20569247

SCHEMBL20569247

NCC(=O)Nc1cnccc1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
KDM4C Q9H3R0 6/20 0.43
KDM6B O15054 3/20 0.43
KDM4D Q6B0I6 3/20 0.43
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
DYRK1A Q13627 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL29892972 0.81 KDM4C (0.52) CA1CA2KDM4CKDM6BKDM4D
SCHEMBL5768636 0.80 MAPK1 (0.49) KDM4CKDM6BKDM4DEGLN3
SCHEMBL30508987 0.79 TSHR (0.50) KDM4C
SCHEMBL21647181 0.79 TSHR (0.50) KDM4C
SCHEMBL27145744 0.79 KDM4C (0.43) KDM4CKDM6BKDM4DEGLN3DYRK1A
SCHEMBL3194739 0.77 MAPT (0.47) CA1CA2KDM4CKDM4D
SCHEMBL31734074 0.74 KMT2A (0.58) KDM4CKDM6BKDM4DEGLN3
SCHEMBL17045857 0.74 KMT2A (0.58) KDM4CKDM6BKDM4DEGLN3
SCHEMBL968912 0.74 CA1 (0.64) CA1CA2ADRA2C
SCHEMBL5833311 0.72 TSHR (0.49) CA1CA2KDM4C

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
WO-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed