SCHEMBL28329149

SCHEMBL28329149

CC1C[C](CN)CC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
NPSR1 Q6W5P4 3/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
FUCA1 P04066 1/20 0.31
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11720260 0.80 ALDH1A1 (0.38) ALDH1A1NPSR1GAATDP1KDM4E
SCHEMBL28046890 0.74 ALDH1A1 (0.35) ALDH1A1NPSR1GAATDP1
SCHEMBL6901458 0.73
SCHEMBL5918165 0.70 ALDH1A1 (0.40) ALDH1A1NPSR1GAATDP1KDM4E
SCHEMBL2150939 0.70 ALDH1A1 (0.38) ALDH1A1NPSR1GAATDP1KDM4E
SCHEMBL10940394 0.68 ALDH1A1 (0.39) ALDH1A1NPSR1GAATDP1KDM4E
SCHEMBL4868570 0.68 ALDH1A1 (0.42) ALDH1A1NPSR1GAATDP1KDM4E
SCHEMBL2113997 0.68 ALDH1A1 (0.36) ALDH1A1NPSR1GAATDP1KDM4E
SCHEMBL27781831 0.68 ALDH1A1 (0.42) ALDH1A1NPSR1GAATDP1KDM4E
SCHEMBL24862 0.68 ALDH1A1 (0.42) ALDH1A1NPSR1GAATDP1KDM4E

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-110234709-A Dye daiamid composition, its preparation method and the purposes of black 巴斯夫欧洲公司 2019-09-13 CN disclosed