SCHEMBL6470643

SCHEMBL6470643

CCOc1ccc(S(=O)(=O)NC(=O)Nc2ccc(OCCOc3ccc(NC(=O)NS(=O)(=O)c4ccc(OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
HRH3 Q9Y5N1 12/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
MAPT P10636 2/20 0.57
KCNH2 Q12809 1/20 0.57
LMNA P02545 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL8383136 0.91 HRH3 (0.65) SMN1; SMN2HRH3CA12CA1CA2
SCHEMBL9485899 0.90 CYP3A4 (0.55) SMN1; SMN2HRH3CA12CA1CA2
SCHEMBL6462889 0.89 HRH3 (0.73) HRH3CA12CA1CA2CA9
SCHEMBL8662949 0.89 HRH3 (0.72) SMN1; SMN2HRH3CA12CA1CA2
SCHEMBL6881573 0.87 MAPT (0.58) SMN1; SMN2HRH3MAPTLMNAKMT2A
SCHEMBL26267 0.86 HRH3 (0.72) SMN1; SMN2HRH3CA12CA1CA2
SCHEMBL9483024 0.84 MAPT (0.55) SMN1; SMN2HRH3MAPTLMNAKMT2A
SCHEMBL7776051 0.80 NPC1 (0.57) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL7770070 0.80 NPC1 (0.57) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL4113545 0.80 MAPT (0.68) SMN1; SMN2CA12CA1CA2CA9

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-20050255998-A1 Mixture of colour developers CIBA SPECIALTY CHEMICALS CORP. 2005-11-17 US disclosed