SCHEMBL28899995

SCHEMBL28899995

O=[N+]([O-])c1c[nH]nc1[C@H]1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.34
MAPT P10636 3/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
BCL6 P41182 1/20 0.30
BCOR Q6W2J9 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4539279 0.90 MAPT (0.38) TXNRD1MAPTPKMCYP1A2CYP2C9
SCHEMBL22572955 0.88 MAPT (0.33) TXNRD1MAPTPKMMEN1KMT2A
SCHEMBL2554448 0.83 GPR35 (0.33) TXNRD1MAPTCYP1A2MEN1KMT2A
SCHEMBL22572956 0.80 ALDH1A1 (0.34) TXNRD1MAPTMEN1KMT2A
SCHEMBL16416435 0.78 PRMT5 (0.33) PRMT5WDR77
SCHEMBL22090173 0.78 TXNRD1 (0.36) TXNRD1MAPTMEN1KMT2A
SCHEMBL22557442 0.77 PRMT5 (0.35) PRMT5WDR77
SCHEMBL28900035 0.77 PRMT5 (0.35) PRMT5WDR77
SCHEMBL23012193 0.75 CYP11B1 (0.35) PRMT5WDR77
SCHEMBL22089936 0.73 JAK2 (0.34) TXNRD1

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-115244055-A Pyrimido five-membered ring derivative and application thereof 江苏先声药业有限公司 2022-10-25 CN disclosed