SCHEMBL28330756

SCHEMBL28330756

CC(=O)Nc1ccc(N[C]=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ HTT P42858 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MAPT P10636 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CA12 O43570 1/20 0.57
▸ BRD4 O60885 1/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ MB P02144 1/20 0.57
▸ CYP1A1 P04798 1/20 0.57
▸ CA3 P07451 1/20 0.57

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
SCHEMBL861674 0.82 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL1176395 0.81 TDP1 (0.65) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL6251431 0.79 MAPT (0.48) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL11413359 0.76 — —
SCHEMBL1203942 0.76 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL669782 0.76 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL11718858 0.76 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL3818831 0.75 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL11158565 0.75 MAPT (0.83) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL3804765 0.75 RAB9A (0.56) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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-110483425-A A kind of application of the acyl thiourea compound and preparation method thereof with anti-influenza A virus UNIV WUHAN 2019-11-22 — — CN disclosed
CN-110478344-A A kind of acyl thiourea compound is preparing the application in anti-influenza B virus drug UNIV WUHAN 2019-11-22 — — CN disclosed
Send feedback