SCHEMBL23397297

SCHEMBL23397297

CCOC(=O)n1ccc2c(Cl)c(OCC)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.39
▸ LMNA P02545 5/20 0.37
▸ LPO P22079 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ POLB P06746 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
SCHEMBL18054292 0.89 NOTUM (0.46) NOTUMLMNALPOCYP1A2L3MBTL1
SCHEMBL18054355 0.87 NOTUM (0.61) NOTUMNPSR1L3MBTL1ALDH1A1KDM4E
SCHEMBL20224102 0.86 NOTUM (0.43) NOTUMLMNALPOCYP1A2L3MBTL1
SCHEMBL20977769 0.85 NOTUM (0.43) NOTUMNPSR1LMNALPOCYP1A2
SCHEMBL18054331 0.83 NPSR1 (0.39) NOTUMNPSR1LMNALPOCYP1A2
SCHEMBL20224081 0.78 NOTUM (0.41) NOTUMLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL20977761 0.77 NOTUM (0.40) NOTUMNPSR1L3MBTL1ALDH1A1HPGD
SCHEMBL20227228 0.77 NOTUM (0.40) NOTUMALDH1A1KDM4EHPGDCASP1
SCHEMBL18054133 0.76 ELANE (0.34) NOTUMNPSR1LMNALPOCYP1A2
SCHEMBL18681981 0.76 P2RX7 (0.38) LMNAL3MBTL1ALDH1A1KDM4EHPGD

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
EP-3261637-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2021-05-26 — — EP disclosed
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