SCHEMBL9253789

SCHEMBL9253789

CSC(=S)N1CCN(Cc2ccccc2N(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.48
MPO P05164 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 1/20 0.40
GLI1 P08151 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
BRD4 O60885 1/20 0.38
FAAH O00519 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37

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 0.82 KMT2A (0.58) PHGDHMGLLALDH1A1LMNAKDM4E
SCHEMBL9250088 0.82 MPO (0.65) PHGDHMGLLMPOALDH1A1HPGD
SCHEMBL9255782 0.81 PHGDH (0.50) PHGDHMGLLMPOALDH1A1HPGD
SCHEMBL9254886 0.81 PHGDH (0.50) PHGDHMGLLMPOALDH1A1HPGD
Hydrochloric Acid SCHEMBL9248600 0.81 ALDH1A1 (0.56) PHGDHMGLLALDH1A1LMNAKDM4E
SCHEMBL9252188 0.81 ATM (0.58) PHGDHMGLLALDH1A1FAAHLMNA
Hydrochloric Acid SCHEMBL9250779 0.80 PHGDH (0.49) PHGDHMGLLMPOALDH1A1HPGD
Hydrochloric Acid SCHEMBL9253120 0.80 ATM (0.57) PHGDHMGLLALDH1A1FAAHLMNA
SCHEMBL9253004 0.78 LMNA (0.58) PHGDHALDH1A1CYP2D6LMNAKDM4E
Hydrochloric Acid SCHEMBL9252823 0.77 LMNA (0.57) PHGDHALDH1A1CYP2D6LMNAKDM4E

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