SCHEMBL7596950

SCHEMBL7596950

Cc1ccc(N(C)C)c(C(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.53
MAPT P10636 3/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
PKM P14618 1/20 0.49
POLB P06746 2/20 0.49
AKR1C3 P42330 1/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL28844364 0.83 MAPT (0.65) C5AR1MAPTTP53SMN1; SMN2GAA
Toluene SCHEMBL28747424 0.81 MAPT (0.67) C5AR1MAPTTP53SMN1; SMN2GAA
SCHEMBL18087428 0.81 GABRP (0.74) C5AR1MAPTTP53GAAPKM
SCHEMBL29384309 0.80 MAPT (0.77) MAPTTP53SMN1; SMN2GAAALDH1A1
SCHEMBL19689021 0.80 ALDH1A1 (0.57) MAPTTP53SMN1; SMN2GAAALDH1A1
SCHEMBL501813 0.80 MAPT (0.77) MAPTTP53SMN1; SMN2GAAALDH1A1
SCHEMBL28384878 0.80 AKR1C3 (0.61) MAPTTP53SMN1; SMN2GAAPKM
SCHEMBL29356028 0.79 NPSR1 (0.60) MAPTTP53GAAALDH1A1PKM
SCHEMBL305558 0.79 NPSR1 (0.60) MAPTTP53GAAALDH1A1PKM
SCHEMBL16994789 0.79 ALDH1A1 (0.47) MAPTTP53SMN1; SMN2GAAALDH1A1

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-118389069-A Fixing agent and preparation method thereof, and temporary compression and fixing method of sealing element 中国联合重型燃气轮机技术有限公司 2024-07-26 CN disclosed
US-20020022677-A1 Dental composite material comprising aggregate KABUSHIKI KAISHA SHOFU (JP) 2002-02-21 US disclosed
EP-1149573-A2 A dental composite material comprising aggregate KABUSHIKI KAISHA SHOFU (JP) 2001-10-31 EP disclosed