SCHEMBL8945647

SCHEMBL8945647

COc1nc2sccc2c2nc(SCc3ccccc3)nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
PKM P14618 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CKS1B P61024 1/20 0.41
SKP2 Q13309 1/20 0.41
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
KDM1A O60341 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 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
SCHEMBL9641291 0.78 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL8945529 0.78 ALDH1A1 (0.47) ALDH1A1MAPTPKMSMN1; SMN2TDP1
SCHEMBL9642157 0.77 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL9535407 0.77 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL8111887 0.76 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL9641813 0.76 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL9642664 0.74 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL9642141 0.74 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL8103143 0.74 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL9640970 0.74 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1

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
US-5494887-A Ring annulated 5-alkoxy-n-aryl[1,2,4]triazolo[1,5-C]-pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1996-02-27 US disclosed