SCHEMBL3466980

SCHEMBL3466980

O=S(=O)(Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GGT1 P19440 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL3467783 0.91 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5390639 0.86 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3466719 0.84 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467586 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5393345 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3468247 0.81 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3467885 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3467474 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5391650 0.78 POLB (0.75) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3466755 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTHPGD

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