SCHEMBL9747304

SCHEMBL9747304

CC(C)CNc1ccc(OC(F)(F)F)cc1CSn1ccnc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.34
BCR P11274 1/20 0.34
GPR139 Q6DWJ6 3/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
CYP19A1 P11511 3/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
GRM7 Q14831 2/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL9011898 0.73 NPC1 (0.34) ABL1TLR7
SCHEMBL9011897 0.66 NPC1 (0.33) TLR7
SCHEMBL17852387 0.65 POLB (0.51)
SCHEMBL8351967 0.61 ICMT (0.44) GPR139
SCHEMBL8784834 0.61 TBXAS1 (0.47) CYP19A1CYP11B1
SCHEMBL9012424 0.60 ADRA2A (0.42)
SCHEMBL17449711 0.57 PDE2A (0.44)
SCHEMBL19494345 0.56 CYP19A1 (0.44) ABL1BCRMAOAMAOBCYP19A1
SCHEMBL20526653 0.56 HRH4 (0.43)
SCHEMBL13197062 0.56 GABRA1 (0.53)

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-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed