SCHEMBL30823916

SCHEMBL30823916

CN1c2ccccc2Nc2ccccc21.COS(=O)(=O)O

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BRPF1 P55201 1/20 0.41
CHEK1 O14757 1/20 0.40
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 5/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.35
RAD52 P43351 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
TTR P02766 1/20 0.34
CES1 P23141 1/20 0.34
MYC P01106 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL196642 1.00 GAA (0.47) GAASMN1; SMN2BRPF1CHEK1LMNA
SCHEMBL29414570 1.00 GAA (0.47) GAASMN1; SMN2BRPF1CHEK1LMNA
Sulfuric Acid SCHEMBL8008464 0.89 GAA (0.53) GAASMN1; SMN2BRPF1CHEK1KMT2A
SCHEMBL9644871 0.89 GAA (0.44) GAASMN1; SMN2BRPF1CHEK1LMNA
SCHEMBL1783719 0.87 CHEK1 (0.41) GAASMN1; SMN2BRPF1CHEK1LMNA
SCHEMBL31398538 0.85 CHEK1 (0.42) GAASMN1; SMN2BRPF1CHEK1KMT2A
SCHEMBL2490578 0.85 CHEK1 (0.42) GAASMN1; SMN2BRPF1CHEK1KMT2A
SCHEMBL4417312 0.84 SMN1; SMN2 (0.42) GAASMN1; SMN2BRPF1CHEK1KMT2A
SCHEMBL232686 0.81 GAA (0.54) GAASMN1; SMN2BRPF1CHEK1LMNA
SCHEMBL4571018 0.79 GAA (0.52) GAASMN1; SMN2BRPF1CHEK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119410720-A Preparation method and application of American cockroach-based probiotic fermentation product 南开大学 2025-02-11 CN disclosed
CN-117757881-A Preparation method of estradiol compound 湖南科益新生物医药有限公司 2024-03-26 CN disclosed