SCHEMBL27878950

SCHEMBL27878950

NC(=O)c1cc(-n2cnn(Cc3ccc(F)cc3)c2=O)n(Cc2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.51
▸ GRM2 Q14416 3/20 0.42
▸ PKM P14618 2/20 0.40
▸ MARS1 P56192 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38

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
SCHEMBL28796332 0.84 SCD (0.51) SCDGRM2PKMMARS1ADRA1D
SCHEMBL27878948 0.81 SCD (0.48) SCDPKMGAAGRIN1GRIN2B
SCHEMBL14480159 0.73 SCD (0.62) SCDGAA
SCHEMBL27878887 0.73 SCD (0.52) SCDSMN1; SMN2
SCHEMBL27878888 0.72 SCD (0.51) SCD
SCHEMBL12717805 0.71 SCD (0.62) SCDGAA
SCHEMBL27777529 0.71 SCD (0.47) SCDPKMSMN1; SMN2P2RX7
SCHEMBL245376 0.70 SCD (0.77) SCDSMN1; SMN2
SCHEMBL27878893 0.70 SCD (0.44) SCDPKMGAAJAK2JAK1
SCHEMBL1576950 0.69 SCD (0.61) SCDGAASMN1; SMN2

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-102574841-A Pyrazole derivatives which modulate stearoyl-coa desaturase NOVARTIS AG 2012-07-11 — — CN disclosed
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