SCHEMBL28805992

SCHEMBL28805992

COc1cccc(NC(=S)NCCNC(C)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.71
MTNR1B P49286 3/20 0.71
MAPT P10636 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
ALPL P05186 1/20 0.64
ALOX12 P18054 1/20 0.64
HTT P42858 1/20 0.64
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.60
GAA P10253 2/20 0.60
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
IDO1 P14902 1/20 0.57
QPCT Q16769 1/20 0.56

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
SCHEMBL27941633 0.95 MTNR1A (0.64) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL358772 0.86 MTNR1A (0.74) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3396218 0.83 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL30080294 0.83 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL28807981 0.82 SMN1; SMN2 (0.66) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13753680 0.81 POLB (0.70) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3822948 0.81 MAPT (0.81) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30557433 0.81 MAPT (0.81) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27941616 0.81 KMT2A (0.56) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL10077284 0.79 KMT2A (0.67) MAPTMEN1KMT2AALDH1A1LMNA

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-103373969-A Phenyl imidazole ring-substituted amide compounds as well as preparation method and application for same SHANGHAI INST ORGANIC CHEM 2013-10-30 CN disclosed