SCHEMBL5333776

SCHEMBL5333776

CCOC(=O)CSc1c(C#N)c(C(F)(F)F)nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.48
MAPT P10636 5/20 0.48
THRB P10828 1/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BRCA1 P38398 1/20 0.43
ESR1 P03372 1/20 0.43
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5317707 0.80 NPSR1 (0.48) RXFP1MAPTALDH1A1HPGDHSD17B10
SCHEMBL28724747 0.76 LMNA (0.43) MAPTALDH1A1HPGDHSD17B10KMT2A
SCHEMBL28724882 0.69 ALDH1A1 (0.41) MAPTALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5340378 0.68 LMNA (0.51) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL630534 0.67 ALDH1A1 (0.48) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL13184169 0.67 LMNA (0.55) MAPTALDH1A1KMT2APOLBL3MBTL1
SCHEMBL22381039 0.66 SMN1; SMN2 (0.47) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL28724752 0.66 KDM4E (0.44) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL14385592 0.66 RXFP1 (1.00) RXFP1MAPTTHRBALDH1A1HPGD
SCHEMBL4625127 0.65 LMNA (0.54) MAPTALDH1A1KMT2APOLBL3MBTL1

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
WO-2007084868-A2 TREATMENT OF DISORDERS BY ACTIVATION OF THE UNFOLDED PROTEIN RESPONSE KALYPSYS, INC. (US) 2007-07-26 WO disclosed