SCHEMBL28554643

SCHEMBL28554643

CCOOCC(C#N)NC(=O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
CTSL P07711 5/20 0.48
CTSB P07858 5/20 0.48
CTSS P25774 5/20 0.48
CTSK P43235 4/20 0.48
CTSV O60911 3/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
METAP2 P50579 2/20 0.43
METAP1 P53582 2/20 0.43
GPR139 Q6DWJ6 2/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL28556972 0.88 GRN (0.45) HPGDCTSLCTSBCTSSCTSK
SCHEMBL28555760 0.87 TAS1R3 (0.52) CTSLCTSBCTSSCTSKCTSV
SCHEMBL28554992 0.87 ALDH1A1 (0.48) HPGDCTSLCTSBCTSSCTSK
SCHEMBL28555031 0.86 LMNA (0.51) CTSLCTSBCTSSCTSKMEN1
SCHEMBL28559436 0.85 HTT (0.51) CTSBMEN1KMT2ALMNANPC1
SCHEMBL28554447 0.85 CTSL (0.47) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL28550625 0.84 GRN (0.46) HPGDCTSBMEN1KMT2ANPC1
SCHEMBL28549970 0.83 NPSR1 (0.58) CTSLMEN1KMT2ALMNARAB9A
SCHEMBL28550547 0.82 TAS1R3 (0.44) CTSLCTSBCTSSCTSK
SCHEMBL28566042 0.81 TAS1R3 (0.40) HPGDCTSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778333-B Tetrahydrooxazolopyridino-azoxanone derivative and application thereof 中国科学院新疆理化技术研究所 2022-07-05 CN disclosed
CN-112724157-B Dihydrooxazolo [5,4-d ] pyrrolo [1,2-a ] pyrimidin-9 (5H) -one derivatives and use thereof 中国科学院新疆理化技术研究所 2022-04-19 CN disclosed
CN-112851692-B Oxazolo [5,4-d ] pyrido [1,2-a ] pyrimidone derivative and application thereof 中国科学院新疆理化技术研究所 2022-04-08 CN disclosed
CN-112851692-A Oxazolo [5,4-d ] pyrido [1,2-a ] pyrimidone derivative and application thereof 中国科学院新疆理化技术研究所 2021-05-28 CN disclosed
CN-112778333-A Tetrahydrooxazolopyridino-azoxanone derivative and application thereof 中国科学院新疆理化技术研究所 2021-05-11 CN disclosed
CN-112724157-A Dihydrooxazolo [5,4-d ] pyrrolo [1,2-a ] pyrimidin-9 (5H) -one derivatives and use thereof 中国科学院新疆理化技术研究所 2021-04-30 CN disclosed