SCHEMBL7681589

SCHEMBL7681589

CCN(CC)c1ccc(CNC(=S)Nc2ccc(N)cc2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
GAA P10253 3/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.42
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP19A1 P11511 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 2/20 0.40
MAPK1 P28482 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL7660146 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7681577 0.88 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7569031 0.82 PTPN7 (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7660134 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7639391 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7642326 0.74 TRPV1 (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6816290 0.74 LMNA (0.65) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7568351 0.73 MAPT (0.67) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1927873 0.72 GAA (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6815190 0.72 QPCT (0.58) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed