SCHEMBL28847404

SCHEMBL28847404

Cn1ncc(OC(N)=O)c1I

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6426140 0.80 NPC1 (0.31)
SCHEMBL28559658 0.79 KDM4E (0.34) HTTLMNAKDM4EALDH1A1CYP1A2
SCHEMBL18209664 0.76 POLB (0.37)
SCHEMBL20774866 0.75 P2RX7 (0.31)
SCHEMBL2595337 0.72
SCHEMBL18209671 0.71 ALOX5 (0.33) ALDH1A1
SCHEMBL1831743 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28405286 0.68 NNMT (0.37) LMNATDP1KDM4EALDH1A1
SCHEMBL29153863 0.68 MEN1 (0.37) HTTLMNACYP1A2CYP2C19
SCHEMBL6065962 0.67 LPAR1 (0.36) HTTCYP1A2

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-110072863-B RIP1 kinase inhibitors and methods of use 豪夫迈·罗氏有限公司 2022-08-30 CN disclosed