SCHEMBL2837428

SCHEMBL2837428

CN1C=CN(Cc2ccccc2)C1.COS(=O)(=O)O

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MMP1 P03956 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ FUCA1 P04066 1/20 0.33

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
Sulfuric Acid SCHEMBL31376096 0.91 MAPK1 (0.42) MAPK1LMNAMC4RSIGMAR1BRD4
SCHEMBL28041798 0.90 PDE4A (0.40) MAPK1LMNAMC4RBRD4KMT2A
Bicarbonate SCHEMBL28977799 0.85 NOTUM (0.41) LMNAMC4RSIGMAR1BRD4KMT2A
SCHEMBL667066 0.84 MC4R (0.46) LMNAMC4RSIGMAR1MAPTFUCA1
Trifluoromethanesulfonic Acid SCHEMBL28181600 0.84 PDK1 (0.36) MAPK1LMNAMC4RBRD4NPSR1
Bicarbonate SCHEMBL29180414 0.83 NOTUM (0.41) LMNAMC4RSIGMAR1BRD4KMT2A
Acetic Acid SCHEMBL27851688 0.83 LMNA (0.42) LMNAMC4RBRD4KMT2ACYP2C9
Iodide SCHEMBL2195243 0.83 MC4R (0.44) LMNAMC4RSIGMAR1MAPTFUCA1
Hydrochloric Acid SCHEMBL383001 0.83 MC4R (0.44) LMNAMC4RSIGMAR1KDM4EMAPT
Bromide SCHEMBL1179198 0.83 MC4R (0.44) LMNAMC4RSIGMAR1MAPTFUCA1

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-107532129-A Efficient small volume nucleic acid synthesis 生命技术公司 2018-01-02 — — CN disclosed
US-20100048327-A1 Highly-Neutralized Golf Ball Compositions ACUSHNET COMPANY 2010-02-25 — — US disclosed
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