SCHEMBL30831837

SCHEMBL30831837

CCCOC(=O)c1ccc(-c2ccccc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ ADORA3 P0DMS8 4/20 0.46
▸ GRM6 O15303 1/20 0.44
▸ CHRM1 P11229 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42

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
SCHEMBL30831836 0.88 CYP1A2 (0.51) LMNAALDH1A1ADORA3MAPTGABRA2
SCHEMBL16728897 0.79 CYP1A2 (0.53) LMNAALDH1A1ADORA3GRM6MAPT
SCHEMBL23015245 0.75 CASP1 (0.59) ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL31149180 0.75 CASP1 (0.59) ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL5740036 0.74 MIF (0.63) LMNAALDH1A1ADORA3TP53MAPT
SCHEMBL3760547 0.73 KMO (0.52) LMNAALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL16709851 0.73 ADORA3 (0.52) LMNAALDH1A1ADORA3MAPTTSHR
SCHEMBL16709852 0.73 ADORA3 (0.52) LMNAALDH1A1ADORA3MAPTTSHR
SCHEMBL1268913 0.73 APP (0.59) LMNAALDH1A1GABRPGABRDMAPT
SCHEMBL28592609 0.72 ALDH1A1 (0.58) LMNAALDH1A1TP53MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964824-B Multiple stimulus responsive homopolymer and preparation method and application thereof 天津师范大学 2024-05-28 — — CN disclosed
CN-117964824-A Multiple stimulus responsive homopolymer and preparation method and application thereof 天津师范大学 2024-05-03 — — CN disclosed
Send feedback