SCHEMBL8553337

SCHEMBL8553337

CCN(C(N)=S)c1ccc2sc(C)c(CCN(C)CCc3ccncc3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
NPY5R Q15761 1/20 0.30
QPCT Q16769 1/20 0.30

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
SCHEMBL8551217 0.90 GNRHR (0.37) GNRHRKDM4ESMN1; SMN2NPY5RQPCT
SCHEMBL8552137 0.81 GNRHR (0.34) GNRHRKMT2AKDM4ESMN1; SMN2NPY5R
SCHEMBL7144826 0.81 MAPT (0.45) GNRHRKMT2AKDM4ESMN1; SMN2
Malonic Acid SCHEMBL8552650 0.76 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2
SCHEMBL8549069 0.72 GNRHR (0.38) GNRHRKMT2AKDM4ESMN1; SMN2NPY5R
SCHEMBL7145976 0.71 GNRHR (0.48) GNRHRKMT2ASMN1; SMN2
SCHEMBL8551891 0.69 HTR1F (0.49) KDM4ESMN1; SMN2
SCHEMBL4001727 0.62 KDM4E (0.47) KDM4ESMN1; SMN2
SCHEMBL6430952 0.61 SIGMAR1 (0.49) KDM4ESMN1; SMN2
SCHEMBL7014859 0.61 NPY5R (0.38) KMT2AKDM4ESMN1; SMN2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed