SCHEMBL11835596

SCHEMBL11835596

CC(=O)c1cnc(Cl)nc1N1CC[S+]([O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ABL1 P00519 11/20 0.39
BCR P11274 11/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.35
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HCRTR2 O43614 2/20 0.34
SYK P43405 1/20 0.33
PDE4B Q07343 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11828452 0.83 KMT2A (0.54) MAPTSYKPDE4BMEN1KMT2A
SCHEMBL18412793 0.81 PDE4B (0.48) SMN1; SMN2ABL1BCRPOLBMAPT
SCHEMBL11826949 0.79 POLB (0.45) SMN1; SMN2POLBMAPT
SCHEMBL11820403 0.76 SMN1; SMN2 (0.63) SMN1; SMN2ABL1BCRMAPTHCRTR2
SCHEMBL11824324 0.74 ABL1 (0.43) SMN1; SMN2ABL1BCRPOLBMAPT
SCHEMBL30695183 0.71 ALDH1A1 (0.48) SMN1; SMN2ABL1BCRPOLBMAPT
SCHEMBL20774988 0.71 ALDH1A1 (0.48) SMN1; SMN2ABL1BCRPOLBMAPT
SCHEMBL20771365 0.69 MEN1 (0.50) SMN1; SMN2ABL1BCRMAPTMEN1
SCHEMBL28229564 0.68 KDM4E (0.48) SMN1; SMN2ABL1BCRPOLBMAPT
SCHEMBL11826696 0.68 NPSR1 (0.36) SMN1; SMN2ABL1BCRKMT2A

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-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 US disclosed