SCHEMBL31361403

SCHEMBL31361403

Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.35
▸ CACNA2D2 Q9NY47 1/20 0.35
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ MBOAT4 Q96T53 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ ALKBH3 Q96Q83 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ AR P10275 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
SCHEMBL31361266 0.90 MEN1 (0.48) MAT2AKMT2AMEN1HTTNPSR1
SCHEMBL31361448 0.87 P2RX3 (0.39) MAT2AKMT2AMEN1HTTNPSR1
SCHEMBL31361411 0.86 MAT2A (0.52) MAT2AKMT2AMEN1HTTNPSR1
SCHEMBL31361346 0.86 MEN1 (0.39) MAT2AKMT2AMEN1HTTNPSR1
SCHEMBL31361339 0.85 MAT2A (0.39) MAT2AKMT2AMEN1HTTNPSR1
SCHEMBL31361350 0.85 MAT2A (0.42) MAT2AKMT2AMEN1HTTNPSR1
SCHEMBL31361364 0.82 KMT2A (0.40) MAT2APTGDR2KMT2AMEN1HTT
SCHEMBL31361311 0.82 HTT (0.39) MAT2AKMT2AMEN1HTTNPSR1
SCHEMBL31361455 0.81 KMT2A (0.40) MAT2AKMT2AMEN1HTTNPSR1
SCHEMBL31361328 0.81 MAT2A (0.42) MAT2AKMT2AMEN1NPSR1SMN1; SMN2

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 — — CN disclosed
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