SCHEMBL30826545

SCHEMBL30826545

Cc1ccc(Nc2ccccc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
MAPT P10636 6/20 0.54
CYP3A4 P08684 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
ALOX12 P18054 3/20 0.54
CYP1A2 P05177 3/20 0.54
HPGD P15428 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 7/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GFER P55789 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 4/20 0.52
ALOX15 P16050 3/20 0.52

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
SCHEMBL30826546 1.00 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4L3MBTL1ALOX12
SCHEMBL9651411 1.00 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4L3MBTL1ALOX12
SCHEMBL17508194 0.89 TDP1 (0.54) ALDH1A1MAPTCYP3A4L3MBTL1TDP1
SCHEMBL11430906 0.86 TDP1 (0.58) ALDH1A1MAPTCYP3A4L3MBTL1HPGD
SCHEMBL28726059 0.86 CASP1 (0.58) ALDH1A1MAPTCYP3A4L3MBTL1ALOX12
SCHEMBL20019377 0.85 NPSR1 (0.60) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL17508186 0.85 TDP1 (0.60) ALDH1A1MAPTCYP3A4L3MBTL1ALOX12
SCHEMBL30998047 0.84 ALDH1A1 (0.70) ALDH1A1MAPTCYP3A4L3MBTL1ALOX12
SCHEMBL2127369 0.84 ALDH1A1 (0.70) ALDH1A1MAPTCYP3A4L3MBTL1ALOX12
SCHEMBL17508260 0.82 RAPGEF4 (0.57) ALDH1A1MAPTCYP3A4ALOX12CYP1A2

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-115124642-B Modified telechelic liquid rubber and preparation method thereof, wide-temperature-range low-heat-generation controllable viscosity rubber and preparation method thereof 株洲时代新材料科技股份有限公司 2024-03-29 CN disclosed