SCHEMBL6995079

SCHEMBL6995079

COc1ccc2c3c(sc2c1)Nc1cc(F)ccc1N=C3N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.42
CLK1 P49759 1/20 0.37
POLB P06746 1/20 0.37
APP P05067 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRNP P04156 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
MAPK10 P53779 1/20 0.34
NCOA2 Q15596 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
PMM2 O15305 1/20 0.33

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 0.89 AXL (0.34) MAPTPOLBAPPALDH1A1ILK
SCHEMBL7000443 0.83 SMN1; SMN2 (0.37) HTTALDH1A1NPC1PMM2MPI
SCHEMBL4836633 0.82 MAPT (0.34) MAPTALDH1A1
Hydrochloric Acid SCHEMBL4843553 0.81 MAPT (0.34) MAPTALDH1A1
SCHEMBL6992858 0.80 CHRM1 (0.47) MAPK1LMNAGAA
Hydrochloric Acid SCHEMBL4843547 0.80 MAPT (0.35) MAPTALDH1A1
SCHEMBL6998543 0.79 BACE1 (0.35) MAPTTP53POLBMAPK1ALDH1A1
SCHEMBL6994334 0.76 MDM2 (0.42) CLK1APPPRNPTSHRMAPK1
SCHEMBL6994128 0.72 IDO1 (0.34) MAPTPOLBALDH1A1
SCHEMBL7000916 0.72 CHRM1 (0.47) MAPK1LMNAGAA

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