SCHEMBL28796332

SCHEMBL28796332

NC(=O)c1cc(-n2cnn(Cc3ccc(F)cc3)c2=O)nn1Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.51
▸ PKM P14618 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GRM2 Q14416 2/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ GAA P10253 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
▸ MARS1 P56192 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL27878887 0.90 SCD (0.52) SCDALDH1A1SMN1; SMN2PPARGPPARD
SCHEMBL27878888 0.89 SCD (0.51) SCDALDH1A1NPSR1PPARGPPARD
SCHEMBL27862555 0.84 SCD (0.51) SCDALDH1A1GRM2ADRA1DGRIN1
SCHEMBL27878950 0.84 SCD (0.51) SCDPKMGRM2ADRA1DJAK2
SCHEMBL1576950 0.81 SCD (0.61) SCDALDH1A1POLBGAASMN1; SMN2
SCHEMBL12717805 0.74 SCD (0.62) SCDNPSR1GAA
SCHEMBL1576766 0.74 HSD17B3 (0.51) SCDALDH1A1HPGDSMN1; SMN2PPARG
SCHEMBL1576789 0.73 HSD17B3 (0.50) SCDALDH1A1HPGDSMN1; SMN2PPARG
SCHEMBL27878948 0.73 SCD (0.48) SCDPKMALDH1A1POLBHPGD
SCHEMBL12717189 0.72 HSD17B3 (0.48) SCDALDH1A1NPSR1GAASMN1; 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 2 patents. 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 claimed
CN-102574841-A Pyrazole derivatives which modulate stearoyl-coa desaturase NOVARTIS AG 2012-07-11 — — CN disclosed
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