SCHEMBL28974774

SCHEMBL28974774

CC(C)(C)OC(=O)N1CCN(c2cccnc2[N+](=O)[O-])C(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.48
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GPR119 Q8TDV5 6/20 0.40
USP30 Q70CQ3 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
DTYMK P23919 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL30282831 1.00 PRKCQ (0.48) PRKCQPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL28974773 1.00 PRKCQ (0.48) PRKCQPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL29963057 0.86 PRKCQ (0.43) PRKCQPOLBALDH1A1LMNAMAPT
SCHEMBL31343918 0.86 SMN1; SMN2 (0.62) PRKCQPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL28974758 0.83 PRKCQ (0.46) PRKCQSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL10120232 0.83 PRKCQ (0.46) PRKCQSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL31343709 0.83 PRKCQ (0.46) PRKCQSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL17550837 0.83 MAPT (0.58) POLBALDH1A1LMNAMAPTGPR119
SCHEMBL11476913 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL31013547 0.77 PRKCQ (0.52) PRKCQPOLBSMN1; SMN2ALDH1A1LMNA

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-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed