SCHEMBL28235350

SCHEMBL28235350

NC(=O)N(CCl)c1ccncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.34
▸ GRM4 Q14833 1/20 0.32
▸ FAAH O00519 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ GFER P55789 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
SCHEMBL27898616 0.77 P2RX7 (0.44) P2RX7HSP90AA1GRM4FAAHMKNK1
SCHEMBL17511990 0.77 FAAH (0.44) P2RX7FAAHKDM4ECYP1A2CYP3A4
SCHEMBL29382234 0.74 P2RX7 (0.41) P2RX7HSP90AA1GRM4FAAHMKNK1
SCHEMBL15993719 0.74 P2RX7 (0.41) P2RX7HSP90AA1GRM4FAAHMKNK1
SCHEMBL27888814 0.70 P2RX7 (0.38) P2RX7GRM4CYP1A2CYP3A4PKM
SCHEMBL27888813 0.70 P2RX7 (0.38) P2RX7GRM4CYP1A2CYP3A4PKM
SCHEMBL8946381 0.69 NPSR1 (0.41) P2RX7HSP90AA1KDM4EPKMHTT
SCHEMBL27892859 0.68 P2RX7 (0.42) P2RX7HSP90AA1GRM4FAAHMKNK1
SCHEMBL4592999 0.67 P2RX7 (0.40) P2RX7HSP90AA1GRM4FAAHKDM4E
SCHEMBL19095286 0.67 P2RX7 (0.41) P2RX7HSP90AA1FAAHKDM4ESLC6A2

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-108308458-A A kind of aquaculture feed and preparation method thereof 湖南七纬科技有限公司 2018-07-24 — — CN claimed
CN-108308458-A A kind of aquaculture feed and preparation method thereof 湖南七纬科技有限公司 2018-07-24 — — CN disclosed
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