SCHEMBL30995161

SCHEMBL30995161

CCOC(=O)c1cc2cc(F)c(Br)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 1/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
HSD17B10 Q99714 1/20 0.58
ALOX15 P16050 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
MMP13 P45452 8/20 0.53
MMP2 P08253 6/20 0.53

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
SCHEMBL30995155 1.00 KDM4E (0.60) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL8959587 0.88 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL4041495 0.86 KDM4E (0.63) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL22620718 0.84 KDM4E (0.62) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL1397950 0.84 KDM4E (0.62) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL3276358 0.83 ALOX15 (0.63) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL29641398 0.83 ALOX15 (0.63) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL23049705 0.83 ALOX15 (0.63) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL31423148 0.83 ALDH1A1 (0.52) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL17494267 0.83 ALDH1A1 (0.52) KDM4EALDH1A1HPGDRAB9ALMNA

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-118530160-A Aromatic heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-08-23 CN disclosed