SCHEMBL28624569

SCHEMBL28624569

CC(=O)Nn1cc(C(C)=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.54
LMNA P02545 3/20 0.54
CREBBP Q92793 3/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.48
KAT2B Q92831 1/20 0.48
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
NOD2 Q9HC29 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
BRD4 O60885 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
STAT3 P40763 1/20 0.46

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
SCHEMBL10973389 0.78 HTR6 (0.48) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL29848366 0.75 NR4A2 (0.67) SMN1; SMN2LMNACREBBPALDH1A1KMT2A
SCHEMBL20674165 0.75 SMN1; SMN2 (0.55) SMN1; SMN2LMNACREBBPALDH1A1KMT2A
SCHEMBL1887873 0.75 NR4A2 (0.67) SMN1; SMN2LMNACREBBPALDH1A1KMT2A
SCHEMBL20923997 0.74 KMT2A (0.55) SMN1; SMN2LMNACREBBPALDH1A1KMT2A
SCHEMBL4207590 0.74 CREBBP (0.63) SMN1; SMN2LMNACREBBPALDH1A1KMT2A
SCHEMBL15019983 0.72 KMT2A (0.77) SMN1; SMN2LMNACREBBPALDH1A1KMT2A
SCHEMBL14584176 0.72 CREBBP (0.64) SMN1; SMN2LMNACREBBPALDH1A1KMT2A
SCHEMBL8599833 0.72 AKR1C3 (0.44) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL12444946 0.71 KAT2B (0.56) SMN1; SMN2LMNACREBBPALDH1A1KMT2A

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-113321640-B Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2023-06-09 CN disclosed
CN-109111427-B Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2023-06-02 CN disclosed
CN-113321640-A Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2021-08-31 CN disclosed