SCHEMBL8140404

SCHEMBL8140404

CC(C)c1nccn1S(=O)(=O)n1ccnc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 3/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
KCNH2 Q12809 1/20 0.31
RECQL P46063 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL28352893 0.84 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TP53KMT2AMAPT
SCHEMBL22462478 0.84 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TP53KMT2AMAPT
SCHEMBL27920955 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TP53KMT2AMAPT
SCHEMBL8150014 0.81 TP53 (0.39) SMN1; SMN2ALDH1A1TP53KMT2AMAPT
SCHEMBL14333359 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TP53KMT2AMAPT
SCHEMBL11820216 0.73 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TP53KMT2AMAPT
SCHEMBL27920936 0.72 TP53 (0.39) SMN1; SMN2ALDH1A1TP53KMT2AMAPT
SCHEMBL8148844 0.71 RECQL (0.46) SMN1; SMN2ALDH1A1KMT2ATSHRRECQL
SCHEMBL48851 0.69
Oxygen SCHEMBL27543875 0.68 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TP53TSHRCYP2D6

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
US-6127548-A PREPARING OPTIONALLY SUBSTITUED 3H-IMIDAZOLE-4-CARBALDEHYDE BY PROTECTING THE 3-AMINO GROUP, THEN FORMYLATING IN PRESENCE OF AN ORGANOMETALLIC COMPOUND AND ELECTROPHILE WITH FORMYL LEAVING GROUP, DEPROTECTING WITH ACID OR STRONG BASE LONZA AG (CH) 2000-10-03 US disclosed
EP-0965590-A1 Process for the preparation of formylimidazoles LONZA A.G. (CH) 1999-12-22 EP disclosed