SCHEMBL7425893

SCHEMBL7425893

O=C1CN(C2CCCC2)C(=O)N1C(S)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
TP53 P04637 5/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD11B1 P28845 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7432535 0.99 HSD11B1 (0.45) KMT2ATP53LMNAMEN1ALDH1A1
SCHEMBL7442890 0.86 ACE (0.40) KMT2AMEN1SMN1; SMN2HTTRAB9A
SCHEMBL7432468 0.80 HSD11B1 (0.46) KMT2AMEN1HSD11B1SMN1; SMN2HTT
SCHEMBL7425886 0.79 HSD11B1 (0.44) KMT2ATP53LMNAMEN1ALDH1A1
SCHEMBL7432526 0.78 HSD11B1 (0.46) KMT2ATP53LMNAMEN1ALDH1A1
SCHEMBL7432645 0.76 ENPP2 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL7436715 0.75 SIGMAR1 (0.37) KMT2AMEN1SMN1; SMN2HTTPOLB
SCHEMBL7434183 0.75 ALDH1A1 (0.37) KMT2ALMNAMEN1ALDH1A1HSD11B1
SCHEMBL7426794 0.74 POLB (0.37) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL7445427 0.74 ALDH1A1 (0.41) KMT2ALMNAMEN1ALDH1A1HSD11B1

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
JP-7126258-A None JP disclosed
JP-H07126258-A HYDANTOIN DERIVATIVE FUJIREBIO INC 1995-05-16 JP disclosed
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed