SCHEMBL28246151

SCHEMBL28246151

CCCCCCN1C=CC(S)=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ FAAH O00519 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ NPC1 O15118 6/20 0.32
▸ RAB9A P51151 6/20 0.32
▸ HTT P42858 4/20 0.32
▸ GALR3 O60755 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32

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
SCHEMBL28246876 1.00 MGLL (0.38) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL28246149 0.93 GRM2 (0.36) GRM2
SCHEMBL11291370 0.82 PTGS1 (0.40) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL27696873 0.81 MGLL (0.39) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL26606118 0.81 MGLL (0.39) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL27663496 0.81 MGLL (0.39) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL27754562 0.81 MGLL (0.39) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL27979483 0.81 MGLL (0.39) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL27660723 0.81 MGLL (0.39) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL26606120 0.81 MGLL (0.39) MGLLPTGS1PTGS2FAAHALDH1A1

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-108529732-A A method of based on ionic liquid high-efficient purification iron protein waste water 河南师范大学 2018-09-14 — — CN claimed
CN-108529732-A A method of based on ionic liquid high-efficient purification iron protein waste water 河南师范大学 2018-09-14 — — CN disclosed
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