SCHEMBL8552082

SCHEMBL8552082

Cc1oc2ccc(NC(=S)N3CCN(Cc4ccccc4)CC3)cc2c1CCN(C)Cc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PHGDH O43175 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.39
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL8547854 0.86 SMN1; SMN2 (0.45) KDM4EGAAMAPTSMN1; SMN2LMNA
SCHEMBL7141711 0.86 SMN1; SMN2 (0.45) KDM4EGAAMAPTSMN1; SMN2LMNA
SCHEMBL8550370 0.75 KDM4E (0.41) KDM4EGAAMAPTSMN1; SMN2LMNA
SCHEMBL8553305 0.74 SMN1; SMN2 (0.42) KDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL8550959 0.73 KDM4E (0.39) KDM4EGAAMAPTSMN1; SMN2LMNA
SCHEMBL8551238 0.72 ROCK1 (0.37) KDM4EGAAMAPTSMN1; SMN2LMNA
SCHEMBL8552755 0.71 KDM4E (0.43) KDM4EGAAMAPTLMNAHTT
SCHEMBL8548549 0.65 HTR1F (0.50) MAPTSMN1; SMN2POLB
SCHEMBL8551920 0.64 ATM (0.46) KDM4EMAPTSMN1; SMN2LMNAHTT
SCHEMBL3015930 0.62 SIGMAR1 (0.58) SMN1; SMN2LMNAHTTALDH1A1POLB

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