SCHEMBL5299753

SCHEMBL5299753

COc1ccc(NC(=S)N2C[CH]C2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
PABPC1 P11940 5/20 0.50
KDM4E B2RXH2 4/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL4130196 0.81 HTT (0.54) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL4126374 0.79 SMN1; SMN2 (0.52) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL6846376 0.77 KMT2A (0.58) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL10417850 0.77 KMT2A (0.58) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL4126551 0.76 NAMPT (0.48) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL4119204 0.76 NPC1 (0.48) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL4132024 0.76 KMT2A (0.43) KMT2AMEN1PABPC1KDM4EMAPT
Cyclopropane SCHEMBL8126236 0.76 NPC1 (0.56) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL2397341 0.75 RAB9A (0.58) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL4386794 0.75 ALDH1A1 (0.47) KMT2AMEN1PABPC1KDM4EMAPT

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
EP-1841758-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-10-10 EP disclosed
WO-2006077496-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-07-27 WO disclosed