SCHEMBL8552137

SCHEMBL8552137

CCN(C(N)=S)c1ccc2oc(C)c(CCN(C)CCc3ccncc3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.34
MAPT P10636 6/20 0.33
TP53 P04637 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 3/20 0.31
IGLV6-57 P01721 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
NPY5R Q15761 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL8549069 0.91 GNRHR (0.38) GNRHRMAPTTP53SMN1; SMN2KDM4E
SCHEMBL7144826 0.81 MAPT (0.45) GNRHRMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL8553337 0.81 GNRHR (0.34) GNRHRSMN1; SMN2KDM4EKMT2ANPY5R
SCHEMBL7145976 0.73 GNRHR (0.48) GNRHRMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL8551217 0.73 GNRHR (0.37) GNRHRSMN1; SMN2KDM4ELMNANPY5R
SCHEMBL4001727 0.62 KDM4E (0.47) SMN1; SMN2KDM4E
SCHEMBL6430952 0.61 SIGMAR1 (0.49) SMN1; SMN2KDM4E
SCHEMBL8549636 0.61 HTR1F (0.51) MAPTSMN1; SMN2KDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL8553027 0.59 NPC1 (0.40) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL11922686 0.59 SIGMAR1 (0.49) SMN1; SMN2KDM4ELMNAHTT

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