SCHEMBL7603456

SCHEMBL7603456

O=C(O)CN1CN=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 2/20 0.40
CYP2C9 P11712 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.37
P2RX4 Q99571 5/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN4A P35499 1/20 0.35

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
SCHEMBL28234956 0.78 P2RX4 (0.34) KMT2APOLBALDH1A1P2RX4MEN1
SCHEMBL27762359 0.77 KDM4E (0.40) KMT2APOLBALDH1A1P2RX4KDM4E
SCHEMBL9535543 0.77 TGM2 (0.35) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL22042030 0.77 EPHX2 (0.40) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL7029078 0.75 P2RX4 (0.40) ALDH1A1P2RX4LMNATSHRMAPK1
SCHEMBL30081007 0.75 P2RX4 (0.40) ALDH1A1P2RX4LMNATSHRMAPK1
SCHEMBL3076974 0.73 HTR2A (0.34) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL28127957 0.73 PTGS1 (0.41) POLBALDH1A1P2RX4KDM4ETSHR
SCHEMBL28097302 0.73 BRD4 (0.42) ALDH1A1
SCHEMBL3729598 0.72 P2RX4 (0.41) KMT2ACYP2D6CYP2C19POLBCYP2C9

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-1263414-A1 PHARMACEUTICAL COMPOSITIONS OF GLYCOGEN PHOSPHORYLASE INHIBITORS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
WO-2001068055-A1 PHARMACEUTICAL COMPOSITIONS OF GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-09-20 WO disclosed