SCHEMBL3467085

SCHEMBL3467085

O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1nnc(COc2ccc(Cl)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 11/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 6/20 0.48
HPGD P15428 6/20 0.48
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
P2RY1 P47900 1/20 0.42

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
SCHEMBL3466719 0.91 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3467041 0.91 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3467783 0.87 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL3467474 0.86 ALDH1A1 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3467586 0.81 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3467863 0.80 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL3467289 0.79 KMT2A (0.54) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3468957 0.78 MEN1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3466980 0.77 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL3467566 0.76 ALDH1A1 (0.66) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A

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