SCHEMBL30427332

SCHEMBL30427332

CCOC(=O)c1cc(Br)ncc1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.45
▸ TSHR P16473 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL19329324 1.00 DPP4 (0.45) DPP4TSHRHSD17B10ALDH1A1MEN1
SCHEMBL2185042 0.88 DPP4 (0.42) DPP4TSHRALDH1A1MEN1KMT2A
SCHEMBL23535454 0.85 TSHR (0.60) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL30427170 0.85 TSHR (0.60) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL17150208 0.84 DPP4 (0.47) DPP4TSHRALDH1A1MEN1KMT2A
SCHEMBL2249995 0.84 TSHR (0.46) DPP4TSHRALDH1A1MEN1KMT2A
SCHEMBL3079030 0.84 MEN1 (0.51) TSHRMEN1KMT2ARAB9AHSP90AA1
SCHEMBL3079283 0.81 JMJD6 (0.56) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL24746841 0.81 ALDH1A1 (0.49) DPP4TSHRHSD17B10ALDH1A1MEN1
SCHEMBL18341514 0.81 NPC1 (0.46) DPP4TSHRHSD17B10ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118786117-A Heterocyclic amides and methods of use thereof 亚根达医疗公司 2024-10-15 — — CN disclosed
EP-4433457-A1 HETEROCYCLIC AMIDES AND METHODS OF USING THE SAME Rgenta Therapeutics, Inc. (US) 2024-09-25 — — EP disclosed
WO-2023092098-A1 HETEROCYCLIC AMIDES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-25 — — WO disclosed
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