SCHEMBL27848977

SCHEMBL27848977

CCS(=O)(=O)NCC(C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.40
▸ MMP7 P09237 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ ACP3 P15309 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ KCNK3 O14649 1/20 0.35

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
SCHEMBL27865868 0.90 CNR2 (0.42) CNR2MMP7MAPK1POLBCYP1A2
SCHEMBL10216809 0.82 GRIA4 (0.39) CNR2MMP7MAPK1POLBCYP1A2
Hydrochloric Acid SCHEMBL3448219 0.81 GRIA4 (0.39) CNR2MMP7MAPK1POLBCYP1A2
SCHEMBL2699407 0.81 CNR2 (0.44) CNR2MAPK1POLBCYP1A2CYP3A4
SCHEMBL27848983 0.79 CNR2 (0.41) CNR2MMP7MAPK1POLBCYP1A2
SCHEMBL3446813 0.79 CNR2 (0.45) CNR2MMP7MAPK1POLBCYP1A2
SCHEMBL28796970 0.76 CNR2 (0.46) CNR2MAPK1POLBCYP1A2CYP3A4
SCHEMBL6017225 0.76 CYP1A2 (0.43) CNR2MAPK1POLBCYP1A2CYP3A4
SCHEMBL27848980 0.75 MEN1 (0.46) MMP7MAPK1POLBCYP1A2CYP3A4
SCHEMBL382150 0.75 CNR2 (0.39) CNR2MMP7MAPK1POLBCYP1A2

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-102438990-A Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-05-02 — — CN disclosed
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