SCHEMBL8547854

SCHEMBL8547854

Cc1sc2ccc(NC(=S)N3CCN(Cc4ccccc4)CC3)cc2c1CCN(C)Cc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PHGDH O43175 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
THRB P10828 1/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39

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
SCHEMBL7141711 0.86 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EGAAMAPTLMNA
SCHEMBL8553336 0.74 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EGAALMNAHTT
SCHEMBL8552127 0.73 KDM4E (0.39) SMN1; SMN2KDM4EGAAMAPTLMNA
SCHEMBL8552959 0.72 KDM4E (0.43) SMN1; SMN2KDM4EGAAMAPTLMNA
Trifluoromethanesulfonic Acid SCHEMBL8551955 0.66 KDM4E (0.37) KDM4EGAAMAPTHTTALDH1A1
SCHEMBL3015930 0.63 SIGMAR1 (0.58) SMN1; SMN2LMNAHTTALDH1A1POLB
SCHEMBL8550370 0.60 KDM4E (0.41) SMN1; SMN2KDM4EGAAMAPTLMNA
SCHEMBL7145054 0.60 KMT2A (0.41) SMN1; SMN2KDM4EGAAMAPTLMNA
SCHEMBL8180418 0.60 HTR1F (0.43) SMN1; SMN2KDM4EGAAMAPTLMNA
SCHEMBL7140235 0.60 ALDH1A1 (0.41) SMN1; SMN2KDM4EGAAMAPTLMNA

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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed