SCHEMBL22978450

SCHEMBL22978450

Cc1nc([N+](=O)[O-])ccc1Cc1cn(C(=O)OC(C)(C)C)c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MITF O75030 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DTYMK P23919 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL28466951 0.87 ELANE (0.41) ELANEPOLBMITFPKMBRD4
SCHEMBL22978451 0.84 L3MBTL1 (0.41) ELANEL3MBTL1POLBBRD4DTYMK
SCHEMBL4505573 0.77 L3MBTL1 (0.39) ELANEL3MBTL1BRD4CYP2C19DTYMK
SCHEMBL3705482 0.77 L3MBTL1 (0.47) ELANEL3MBTL1POLBBRD4DTYMK
SCHEMBL30940044 0.77 L3MBTL1 (0.47) ELANEL3MBTL1POLBBRD4DTYMK
SCHEMBL4569771 0.77 L3MBTL1 (0.50) ELANEL3MBTL1POLBBRD4DTYMK
SCHEMBL22988825 0.76 CSF1R (0.44) ELANEL3MBTL1DTYMK
SCHEMBL14197023 0.76 L3MBTL1 (0.38) ELANEL3MBTL1POLBBRD4DTYMK
SCHEMBL30458558 0.75 ELANE (0.46) ELANEL3MBTL1POLBBRD4DTYMK
SCHEMBL1267232 0.75 ELANE (0.46) ELANEL3MBTL1POLBBRD4DTYMK

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-2018233526-A9 CSF1R INHIBITOR, AND MANUFACTURING METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2021-02-18 — — WO disclosed
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