SCHEMBL3467368

SCHEMBL3467368

O=S(=O)(Nc1nnc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
HSD11B1 P28845 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
CCNA1 P78396 1/20 0.43
CDK6 Q00534 1/20 0.43
LMNA P02545 3/20 0.42
HSD17B10 Q99714 1/20 0.42
SCD O00767 1/20 0.42
MCL1 Q07820 2/20 0.41
KDM1A O60341 1/20 0.41
HPGD P15428 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
SCHEMBL3467458 0.87 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467235 0.83 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467283 0.83 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3466995 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHSD11B1MEN1KMT2A
SCHEMBL3467499 0.81 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467605 0.80 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3468790 0.78 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467953 0.77 ALDH1A1 (0.51) ALDH1A1MAPTHSD11B1MEN1KMT2A
SCHEMBL3467612 0.77 MEN1 (0.67) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL3467123 0.77 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed