SCHEMBL29396554

SCHEMBL29396554

COCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
S100A4 P26447 1/20 0.43
PLK1 P53350 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL5007718 1.00 ALDH1A1 (0.64) ALDH1A1TSHRRXFP1GAAKDM4E
SCHEMBL10067790 0.96 ALDH1A1 (0.58) ALDH1A1TSHRRXFP1GAAKDM4E
SCHEMBL10703149 0.92 ALDH1A1 (0.55) ALDH1A1TSHRRXFP1GAAKDM4E
SCHEMBL15316784 0.92 ALDH1A1 (0.51) ALDH1A1TSHRRXFP1KDM4ES100A4
SCHEMBL5007745 0.91 ALDH1A1 (0.53) ALDH1A1TSHRRXFP1GAAKDM4E
SCHEMBL29363109 0.91 ALDH1A1 (0.53) ALDH1A1TSHRRXFP1GAAKDM4E
SCHEMBL30365979 0.91 ALDH1A1 (0.53) ALDH1A1TSHRRXFP1GAAKDM4E
SCHEMBL12269471 0.87 ALDH1A1 (0.47) ALDH1A1TSHRRXFP1GAAKDM4E
SCHEMBL12269534 0.87 ALDH1A1 (0.47) ALDH1A1TSHRRXFP1GAAKDM4E
SCHEMBL14950589 0.87 ALDH1A1 (0.49) ALDH1A1TSHRRXFP1GAAKDM4E

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-113622050-B Preparation method of high-resilience chlorine-resistant spandex fiber and application of high-resilience chlorine-resistant spandex fiber in diaper 诸暨华海氨纶有限公司 2022-02-18 CN claimed
CN-113622050-B Preparation method of high-resilience chlorine-resistant spandex fiber and application of high-resilience chlorine-resistant spandex fiber in diaper 诸暨华海氨纶有限公司 2022-02-18 CN disclosed