SCHEMBL7688434

SCHEMBL7688434

C#CCNCc1csc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACKR3 P25106 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL12608407 0.83 HPGD (0.65) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL28958764 0.81 HPGD (0.58) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL23374717 0.81 HPGD (0.58) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL7687826 0.81 HPGD (0.62) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL14416100 0.80 HPGD (0.64) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL13510002 0.78 HPGD (0.59) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL10864066 0.78 HPGD (0.55) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL102463 0.77 LMNA (0.52) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL7695158 0.77 HPGD (0.54) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL28958745 0.76 HPGD (0.56) HPGDDRD2DRD4DRD3RAB9A

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-6380187-B2 FUNGICIDES YU DINGWEI TIM (US) 2002-04-30 US disclosed
US-6281217-B2 ANTIFUNGAL ACTIVITY AGAINST A VARIETY OF FUNGI INCLUDING STRAINS WHICH HAVE PROVEN TO BE RESISTANT TO TREATMENT WITH KNOWN ANTIFUNGAL AGENTS SUCH AS FLUCONAZOLE. YU DINGWEI TIM (US) 2001-08-28 US disclosed