SCHEMBL9254886

SCHEMBL9254886

CSC(=S)N1CCN(Cc2ccccc2N)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.50
MGLL Q99685 2/20 0.50
MPO P05164 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 1/20 0.42
FAAH O00519 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL9255506 0.84 KMT2A (0.58) PHGDHMGLLALDH1A1KDM4ELMNA
SCHEMBL9250088 0.84 MPO (0.65) PHGDHMGLLMPOALDH1A1HPGD
Hydrochloric Acid SCHEMBL9248600 0.83 ALDH1A1 (0.56) PHGDHMGLLALDH1A1KDM4ELMNA
SCHEMBL9252188 0.83 ATM (0.58) PHGDHMGLLALDH1A1FAAHKDM4E
SCHEMBL9255782 0.83 PHGDH (0.50) PHGDHMGLLMPOALDH1A1HPGD
Hydrochloric Acid SCHEMBL9250779 0.82 PHGDH (0.49) PHGDHMGLLMPOALDH1A1HPGD
Hydrochloric Acid SCHEMBL9253120 0.82 ATM (0.57) PHGDHMGLLALDH1A1FAAHKDM4E
SCHEMBL9253789 0.81 PHGDH (0.48) PHGDHMGLLMPOALDH1A1HPGD
SCHEMBL9253004 0.81 LMNA (0.58) PHGDHALDH1A1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL9252823 0.80 LMNA (0.57) PHGDHALDH1A1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446146-A Treatment of liver disorders NIPPON CHEMIPHAR CO., LTD. (JP) 1995-08-29 US disclosed
EP-0326379-B1 Therapeutic agent for liver disease and piperazine derivatives NIPPON CHEMIPHAR CO (JP) 1994-06-01 EP disclosed
US-5070089-A INHIBITION OF LIPID PEROXIDATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 US disclosed
EP-0326379-A2 Therapeutic agent for liver disease and piperazine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1989-08-02 EP disclosed