SCHEMBL28334652

SCHEMBL28334652

CN1C=CN(Cc2ccccc2)C1.O=S(=O)(O)C(F)(F)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CASP3 P42574 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
Trifluoromethanesulfonic Acid SCHEMBL28181600 0.89 PDK1 (0.36) BRD4TSHRNPSR1LMNACYP1A2
Sulfuric Acid SCHEMBL31376096 0.84 MAPK1 (0.42) BRD4NPSR1LMNAMAPK1ALDH1A1
SCHEMBL28041798 0.83 PDE4A (0.40) BRD4TSHRLMNACYP2D6MAPK1
SCHEMBL28043155 0.81 MC4R (0.41) LMNAALDH1A1ACHE
SCHEMBL27738942 0.80 — —
SCHEMBL28862300 0.79 — —
SCHEMBL2837428 0.79 MAPK1 (0.36) BRD4NPSR1LMNAMAPK1
SCHEMBL29904511 0.79 CREBBP (0.35) CYP2D6PDK1PDK2PDK3PDK4
Bicarbonate SCHEMBL28977799 0.78 NOTUM (0.41) BRD4TSHRLMNACYP2D6ALDH1A1
SCHEMBL667066 0.78 MC4R (0.46) LMNAALDH1A1ACHE

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-104617338-B Sodium rechargeable battery comprising forming slotted graphite felt SK新技术株式会社 2019-11-12 — — CN disclosed
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