SCHEMBL28878645

SCHEMBL28878645

CNc1ncc(OC)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TBK1 Q9UHD2 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SYK P43405 1/20 0.34
GLA P06280 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
SCHEMBL6652151 0.78 PIK3CA (0.39) MAPTKDM4EALDH1A1HSD17B10LMNA
SCHEMBL13940610 0.77 KMT2A (0.46) MAPTKDM4ETBK1ALDH1A1HSD17B10
SCHEMBL24587409 0.76 CRHR1 (0.35) MAPTKDM4EALDH1A1HSD17B10LMNA
SCHEMBL15426468 0.75 MAPT (0.37) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL15577521 0.74 ALDH1A1 (0.39) ALDH1A1CLK4HTTCCR1CCR5
SCHEMBL22916642 0.73 PLAU (0.42) MAPTALDH1A1HSD17B10NPC1RAB9A
Hydrochloric Acid SCHEMBL28381933 0.73 MAPT (0.36) MAPTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL3716987 0.73 MAPK1 (0.49) MAPTKDM4EALDH1A1HSD17B10LMNA
SCHEMBL24588117 0.73 LRRK2 (0.41) LMNACYP1A2CYP2C9CYP2C19
SCHEMBL2655524 0.72 MAPT (0.39) MAPTALDH1A1IGF1RCCR1CCR5

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-115151540-A Polyheterocyclic compounds as METTL3 inhibitors 风暴治疗有限公司 2022-10-04 CN disclosed