SCHEMBL29631802

SCHEMBL29631802

O=C(O)N1CCN(c2ncc(C3C(F)(F)C3(F)F)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 7/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ SLC6A7 Q99884 5/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34

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
SCHEMBL26125760 0.81 SLC6A7 (0.47) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL29029905 0.80 GPR119 (0.55) —
SCHEMBL5368547 0.78 L3MBTL1 (0.49) POLBKDM4EALDH1A1L3MBTL1GAA
SCHEMBL3539046 0.78 PARP1 (0.44) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL27233827 0.78 SLC6A7 (0.56) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL29631883 0.78 KDM4E (0.40) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL21553750 0.76 POLB (0.45) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL24467776 0.75 ALDH1A1 (0.49) KDM4EALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL3832688 0.74 POLB (0.44) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL2825734 0.74 PANK3 (0.52) POLBKDM4EALDH1A1TSHRHSD17B10

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-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 — — WO disclosed
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