SCHEMBL29937693

SCHEMBL29937693

O=[N+]([O-])c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
MAPT P10636 7/20 0.67
LMNA P02545 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
GAA P10253 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HTT P42858 2/20 0.63
KDM4E B2RXH2 1/20 0.63
NPC1 O15118 1/20 0.63
HPGD P15428 1/20 0.62
SLC6A9 P48067 2/20 0.61
SLC6A5 Q9Y345 2/20 0.61
MAPK1 P28482 1/20 0.58
IDE P14735 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL2103553 1.00 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL6815260 0.85 GAA (0.69) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3920380 0.85 SLC6A5 (0.86) ALDH1A1MAPTSMN1; SMN2SLC6A9SLC6A5
SCHEMBL7800482 0.84 GAA (0.72) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL6811691 0.84 GAA (0.71) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2061743 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL1026363 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL210786 0.83 ALDH1A1 (0.69) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL3252577 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL2388988 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2MEN1

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-115215816-B Synthesis method of lactam compound 普济生物科技(台州)有限公司 2024-02-02 CN disclosed
CN-115215816-A Synthesis method of lactam compound 普济生物科技(台州)有限公司 2022-10-21 CN disclosed
WO-2022218348-A1 METHOD FOR SYNTHESIZING LACTAM COMPOUNDS Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2022-10-20 WO disclosed