SCHEMBL31396375

SCHEMBL31396375

C[C@H](NC(=O)OC(C)(C)C)c1ncnn1-c1ncc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 10/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACACB O00763 4/20 0.35
▸ PANK3 Q9H999 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
SCHEMBL23301746 0.87 KMT2A (0.38) AAK1KMT2ATRPA1TSHRHSD17B10
SCHEMBL23301745 0.87 KMT2A (0.38) AAK1KMT2ATRPA1TSHRHSD17B10
SCHEMBL25066105 0.85 ACACB (0.38) AAK1KMT2ATRPA1MEN1ACACB
SCHEMBL28837090 0.85 ACACB (0.38) AAK1KMT2ATRPA1MEN1ACACB
SCHEMBL30884736 0.84 KMT2A (0.34) KMT2ATRPA1TSHRHSD17B10ACACB
SCHEMBL31648673 0.82 AAK1 (0.40) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL31396365 0.82 KMT2A (0.35) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL31648907 0.81 AAK1 (0.38) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL31649110 0.80 SMN1; SMN2 (0.38) ACACB
SCHEMBL31648949 0.78 ACACB (0.36) AAK1KMT2ATRPA1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132758-A1 PESTICIDALLY ACTIVE QUINAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-26 — — WO disclosed
WO-2025132754-A1 PESTICIDALLY ACTIVE QUINAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-26 — — WO disclosed
WO-2025045835-A1 PESTICIDALLY ACTIVE OXOINDOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-03-06 — — WO disclosed
WO-2025045838-A2 PESTICIDALLY ACTIVE BENZISOTHIAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-03-06 — — WO disclosed
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