SCHEMBL29937859

SCHEMBL29937859

Cc1cc([N+](=O)[O-])ccc1N1CCOCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 3/20 0.49
CYP3A4 P08684 2/20 0.49
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 1/20 0.44
SLC6A5 Q9Y345 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL2941971 1.00 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4LMNAHTT
SCHEMBL3675118 0.88 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4LMNAHTT
SCHEMBL4458565 0.84 MAPT (0.51) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL29937396 0.84 MAPT (0.51) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL77799 0.84 ALDH1A1 (0.54) ALDH1A1TDP1LMNAHTTSMN1; SMN2
SCHEMBL2942752 0.82 SMN1; SMN2 (0.43) ALDH1A1TDP1CYP3A4LMNAHTT
SCHEMBL5375868 0.81 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4LMNAHTT
SCHEMBL5624620 0.81 SLC6A9 (0.46) ALDH1A1TDP1HTTSMN1; SMN2MAPT
SCHEMBL27656428 0.81 CTSB (0.45) ALDH1A1TDP1CYP3A4LMNAHTT
SCHEMBL5628031 0.81 ALDH1A1 (0.56) ALDH1A1LMNAHTTSMN1; SMN2RAB9A

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