SCHEMBL8663605

SCHEMBL8663605

c1csc(C2NCCOC2c2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
KIF11 P52732 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CHRNA7 P36544 1/20 0.36
POLB P06746 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
SCHEMBL6910639 0.80 DRD3 (0.41) KDM4EMAPTATML3MBTL1DRD3
SCHEMBL27730344 0.79 DRD3 (0.38) KDM4EMAPTATML3MBTL1DRD3
SCHEMBL27857109 0.75 GAA (0.38) KDM4EMAPTATML3MBTL1DRD3
SCHEMBL7010502 0.71 DRD2 (0.47) DRD3HTR2A
SCHEMBL19690771 0.71
SCHEMBL5676263 0.70 ALDH1A1 (0.38) KDM4EMAPTATML3MBTL1DRD3
SCHEMBL5677950 0.70 ALDH1A1 (0.38) KDM4EMAPTATML3MBTL1DRD3
SCHEMBL22589075 0.70 ALDH1A1 (0.38) KDM4EMAPTATML3MBTL1DRD3
SCHEMBL30101002 0.69 DRD2 (0.36) KDM4EMAPTATML3MBTL1DRD3
SCHEMBL9693463 0.69 KDM4E (0.47) KDM4EMAPTALDH1A1MEN1KMT2A

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-5852006-A N-aminoalkyl-substituted nitrogen-containing six membered heterocyclic compounds NIPPON CHEMIPHAR CO., LTD. (JP) 1998-12-22 US disclosed
US-5574030-A INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES NIPPON CHEMIPHAR CO., LTD. (JP) 1996-11-12 US disclosed