SCHEMBL29100415

SCHEMBL29100415

NC(=O)c1cccc2cc3ccccc3cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 5/20 1.00
GAA P10253 2/20 1.00
PDPK1 O15530 1/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
CTNNB1 P35222 1/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
PARP1 P09874 5/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
IKBKB O14920 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL634215 1.00 KDM4E (1.00) KDM4EALDH1A1GAAPDPK1KMT2A
SCHEMBL29498815 1.00 KDM4E (1.00) KDM4EALDH1A1GAAPDPK1KMT2A
SCHEMBL30181949 1.00 KDM4E (1.00) KDM4EALDH1A1GAAPDPK1KMT2A
SCHEMBL25192670 0.98 KDM4E (0.96) KDM4EALDH1A1GAAPDPK1KMT2A
SCHEMBL497724 0.98 KDM4E (0.96) KDM4EALDH1A1GAAPDPK1KMT2A
Hydrochloric Acid SCHEMBL9566345 0.96 KDM4E (0.93) KDM4EALDH1A1GAAPDPK1KMT2A
Hydrochloric Acid SCHEMBL4811305 0.96 KDM4E (0.93) KDM4EALDH1A1GAAPDPK1KMT2A
Sulfuric Acid SCHEMBL9566343 0.91 KDM4E (0.83) KDM4EALDH1A1GAAPDPK1KMT2A
SCHEMBL5746726 0.86 ALDH1A1 (0.75) KDM4EALDH1A1GAAPDPK1KMT2A
SCHEMBL5749892 0.86 ALDH1A1 (0.75) KDM4EALDH1A1GAAPDPK1KMT2A

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-116813617-A Fluorescent probe based on naphthalimide-1, 4, 7-triazepan, preparation method and application thereof 江汉大学 2023-09-29 CN disclosed