SCHEMBL28670818

SCHEMBL28670818

CCOC(=O)CC(=N)c1[nH]nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.48
▸ HPGDS O60760 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ SLC2A2 P11168 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
SCHEMBL3493236 0.82 HPGDS (0.60) RAB9AHPGDSLMNAMEN1KMT2A
SCHEMBL27321802 0.72 RAB9A (0.63) RAB9AHPGDSLMNAALDH1A1HPGD
SCHEMBL3491623 0.72 RAB9A (0.50) RAB9ALMNAMEN1KMT2AALDH1A1
SCHEMBL1753182 0.71 HPGDS (0.60) RAB9AHPGDSLMNAALDH1A1HPGD
SCHEMBL10172532 0.71 HPGDS (0.60) RAB9AHPGDSLMNAALDH1A1HPGD
SCHEMBL11351745 0.70 ALDH1A1 (0.58) RAB9AHPGDSLMNAMEN1KMT2A
SCHEMBL509233 0.69 LMNA (0.55) HPGDSLMNAMEN1KMT2AALDH1A1
SCHEMBL5330670 0.68 HPGDS (0.56) RAB9AHPGDSLMNAALDH1A1HPGD
SCHEMBL31361376 0.68 HPGDS (0.50) RAB9AHPGDSLMNAMEN1KMT2A
SCHEMBL16154002 0.68 LMNA (0.60) RAB9ALMNAMEN1KMT2AALDH1A1

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-A MAT2A inhibitors 南京正大天晴制药有限公司 2022-02-01 — — CN disclosed
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