SCHEMBL8552959

SCHEMBL8552959

Cc1sc2ccc(NC(=S)N3CCN(c4ccccc4)CC3)cc2c1CCN(C)Cc1cccc2ncncc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
MAPT P10636 11/20 0.43
ALDH1A1 P00352 10/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.39
GAA P10253 5/20 0.37
RAD52 P43351 2/20 0.37
PKM P14618 1/20 0.37
BLM P54132 1/20 0.37
PHGDH O43175 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
PDGFRB P09619 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL8552755 0.86 KDM4E (0.43) KDM4EMAPTALDH1A1RAB9AMEN1
SCHEMBL7147572 0.86 MAPT (0.43) KDM4EMAPTALDH1A1RAB9AMEN1
SCHEMBL8548267 0.81 KDM4E (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8553478 0.77 MAPT (0.37) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8554008 0.75 BRAF (0.30)
SCHEMBL8547854 0.72 SMN1; SMN2 (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8547927 0.69 ROCK1 (0.37) KDM4EMAPTALDH1A1GAARAD52
SCHEMBL8192418 0.69 HSP90AA1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8552127 0.68 KDM4E (0.39) KDM4EMAPTALDH1A1RAB9AKMT2A
SCHEMBL8550370 0.66 KDM4E (0.41) KDM4EMAPTALDH1A1RAB9AMEN1

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