SCHEMBL6998543

SCHEMBL6998543

NC1=Nc2ccccc2Nc2sc3cc(F)ccc3c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
GFER P55789 2/20 0.33
AXL P30530 1/20 0.33
LMNA P02545 4/20 0.32
CHRM2 P08172 4/20 0.32
CHRM4 P08173 4/20 0.32
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
DRD2 P14416 4/20 0.32
CHRM3 P20309 4/20 0.32
DRD1 P21728 4/20 0.32
ADRA1D P25100 4/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
ADRA1A P35348 4/20 0.32
HRH1 P35367 4/20 0.32
ADRA1B P35368 4/20 0.32
HTR2B P41595 4/20 0.32
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32

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
SCHEMBL6996940 0.90 AXL (0.34) GFERAXLLMNAHTR5AALDH1A1
SCHEMBL7001273 0.85 DRD2 (0.35) GFERLMNACHRM2CHRM4CHRM5
SCHEMBL6994128 0.85 IDO1 (0.34) BACE1CHRM1HRH1MEN1KMT2A
SCHEMBL4836633 0.85 MAPT (0.34) BACE1GFERAXLHTR5ASMN1; SMN2
SCHEMBL7000443 0.84 SMN1; SMN2 (0.37) GFERAXLGAASMN1; SMN2ALDH1A1
SCHEMBL14156629 0.84 LMNA (0.36) BACE1GFERLMNACHRM2CHRM4
Hydrochloric Acid SCHEMBL4843411 0.84 IDO1 (0.33) BACE1CHRM1HRH1MEN1KMT2A
Hydrochloric Acid SCHEMBL4843553 0.84 MAPT (0.34) BACE1HTR5ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4843547 0.83 MAPT (0.35) BACE1SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4836312 0.83 LMNA (0.35) BACE1GFERLMNACHRM2CHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1016664-B1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-07-02 EP disclosed
US-6455521-B1 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 EP disclosed