SCHEMBL28064699

SCHEMBL28064699

NCC(=O)Oc1ccccc1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PNMT P11086 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2C P18825 1/20 0.36
TSHR P16473 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
EPHX1 P07099 1/20 0.36
CFD P00746 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
F7 P08709 1/20 0.35
TPSB2 P20231 1/20 0.35

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
SCHEMBL27365378 0.89 KMT2A (0.42) L3MBTL1KDM4ESMN1; SMN2PNMTTAAR1
SCHEMBL15212670 0.87 L3MBTL1 (0.44) L3MBTL1KDM4ESMN1; SMN2TAAR1MEN1
SCHEMBL27491211 0.85 PTGS2 (0.41) L3MBTL1KDM4ESMN1; SMN2PNMTTAAR1
SCHEMBL28024055 0.85 ELANE (0.44) L3MBTL1KDM4ESMN1; SMN2TAAR1MEN1
SCHEMBL27870290 0.84 KDM4E (0.41) L3MBTL1KDM4ESMN1; SMN2PNMTTAAR1
SCHEMBL9616117 0.82 KDM4E (0.44) L3MBTL1KDM4ESMN1; SMN2PNMTTAAR1
SCHEMBL27471665 0.82 MEN1 (0.41) L3MBTL1KDM4ESMN1; SMN2PNMTTAAR1
SCHEMBL343569 0.82 THRA (0.48) L3MBTL1KDM4ETAAR1MEN1RECQL
SCHEMBL27365379 0.82 KDM4E (0.42) L3MBTL1KDM4ESMN1; SMN2MEN1RECQL
SCHEMBL27491120 0.82 KDM4E (0.49) L3MBTL1KDM4EMEN1RECQLKMT2A

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
CN-105555297-A WNT compositions and purification methods UNIV LELAND STANFORD JUNIOR 2016-05-04 CN disclosed