SCHEMBL7905397

SCHEMBL7905397

S=C(NCc1cccnc1)NC1=CC[CH]C=C1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
GAA P10253 2/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 4/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 4/20 0.52
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL7908140 0.85 CA9 (0.52) ALDH1A1GAAPOLBMAPTLMNA
SCHEMBL7981937 0.84 MAOA (0.54) ALDH1A1GAAPOLBMAPTLMNA
SCHEMBL5145645 0.77 ALDH1A1 (1.00) ALDH1A1GAAPOLBMAPTMAPK1
SCHEMBL38659518 0.77 ALDH1A1 (1.00) ALDH1A1GAAPOLBMAPTMAPK1
SCHEMBL11643369 0.76 POLB (0.86) ALDH1A1GAAPOLBMAPTMAPK1
SCHEMBL7908502 0.74 PLA2G1B (0.37) ALDH1A1GAAPOLBMAPTMAPK1
SCHEMBL7638276 0.74 MEN1 (0.50) ALDH1A1GAAMAPTMAPK1LMNA
SCHEMBL7644918 0.74 QPCT (0.45) ALDH1A1GAAPOLBMAPTMAPK1
SCHEMBL16566454 0.73 MAPT (0.78) ALDH1A1GAAPOLBMAPTMAPK1
SCHEMBL36671102 0.71 ALDH1A1 (1.00) ALDH1A1GAAPOLBMAPTMAPK1

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-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed