SCHEMBL4964666

SCHEMBL4964666

O=C(NCc1ccccn1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
TSHR P16473 2/20 0.67
MEN1 O00255 1/20 0.67
GAA P10253 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 2/20 0.59
RECQL P46063 1/20 0.59
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL10353314 0.94 TSHR (0.67) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL8321173 0.92 TSHR (0.70) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL10353331 0.92 TSHR (0.70) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL25190021 0.90 KMT2A (0.60) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL4387100 0.90 KMT2A (0.60) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL13621106 0.87 GAA (0.67) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL17055772 0.84 KMT2A (0.55) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL17130350 0.84 KMT2A (0.55) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL13006881 0.84 GAA (0.64) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL27314194 0.83 PKM (0.53) KMT2ATSHRMEN1GAASMN1; SMN2

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-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP claimed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 WO claimed