SCHEMBL6562908

SCHEMBL6562908

COc1nc2ccccc2nc1NC(=S)N1CCN(c2ccsc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.45
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL6560562 0.89 LMNA (0.42) PHGDHLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6560843 0.88 MAPT (0.42) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6559635 0.84 ALDH1A1 (0.61) PHGDHALDH1A1KMT2AMEN1MAPT
SCHEMBL6561321 0.82 KMT2A (0.52) PHGDHLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6562891 0.81 PHGDH (0.45) PHGDHALDH1A1KMT2AMEN1MAPT
SCHEMBL6562659 0.81 PHGDH (0.54) PHGDHALDH1A1KMT2AMEN1CYP3A4
SCHEMBL7804724 0.80 PDGFRB (0.39) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL6562602 0.80 PHGDH (0.57) PHGDHLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6560454 0.78 PHGDH (0.46) PHGDHALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6562764 0.77 MAPT (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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
EP-1075469-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-05-26 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed