SCHEMBL28885992

SCHEMBL28885992

CC1(C)CN(CCO)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
HSPA9 P38646 1/20 0.37
TSHR P16473 1/20 0.36
WDR5 P61964 1/20 0.36
MAPT P10636 5/20 0.36
HTR7 P34969 2/20 0.36
ATM Q13315 2/20 0.36
POLB P06746 2/20 0.36
HTR1A P08908 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL27913633 0.90 MAPT (0.41) SLC22A12HSPA9TSHRMAPTATM
SCHEMBL28361594 0.77 SLC22A12 (0.43) SLC22A12HSPA9MAPTGAALMNA
Quinoline SCHEMBL27810975 0.77 WDR5 (0.38) WDR5MAPTATMPOLBLMNA
SCHEMBL2720836 0.73 ESPL1 (0.39) SLC22A12HSPA9TSHRMAPTGAA
SCHEMBL5477312 0.70 LMNA (0.48) HSPA9TSHRMAPTGAALMNA
SCHEMBL4102749 0.69 ACHE (0.47) MAPTLMNASMN1; SMN2
Methacrylic Acid SCHEMBL28102600 0.69 ESPL1 (0.39) SLC22A12MAPTATMGAAKDM4E
SCHEMBL28931189 0.69 MAPT (0.43) HSPA9TSHRMAPTLMNAKDM4E
Acrylamide SCHEMBL28000758 0.68 ALDH1A1 (0.38) SLC22A12MAPTATMPOLBLMNA
Perchlorate SCHEMBL30036059 0.68 NOTUM (0.45) SLC22A12

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-111116956-B TAC functional film and preparation method thereof 乐凯光电材料有限公司 2022-11-15 CN disclosed