SCHEMBL28563620

SCHEMBL28563620

CCN(C)C(=N)Nc1cc(C)c(Oc2cccc(SC(F)F)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ DHODH Q02127 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28456082 0.85 DHODH (0.31) DHODH
SCHEMBL18703868 0.83 MAPT (0.31) MAPTACHEF10
SCHEMBL29716204 0.83 MAPT (0.31) MAPTACHEF10
SCHEMBL28547083 0.82 DHODH (0.43) MAPTDHODHLMNAHTTSMN1; SMN2
SCHEMBL28443260 0.77 GAA (0.38) MAPTMEN1TSHRMAPK1KMT2A
SCHEMBL28452046 0.77 FURIN (0.30) MAPT
SCHEMBL28603114 0.74 HTR2A (0.41) —
SCHEMBL16417029 0.72 — —
SCHEMBL16417030 0.72 — —
SCHEMBL29370416 0.72 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112912374-A Oxocyclobutylphenoxyquinolines and analogs 拜耳公司 2021-06-04 — — CN disclosed
CN-112702913-A Controlled release formulations for agrochemicals 拜耳公司 2021-04-23 — — CN disclosed
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