SCHEMBL6600285

SCHEMBL6600285

c1ccc([C](c2ccccc2)c2cccnn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
TBXA2R P21731 2/20 0.43
CES1 P23141 1/20 0.42
KMT2A Q03164 4/20 0.39
AHR P35869 1/20 0.37
VNN1 O95497 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GOT1 P17174 1/20 0.34
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL27955861 0.79 TBXA2R (0.44) P2RX7TBXA2RCES1KMT2AAHR
SCHEMBL3992842 0.79 KMT2A (0.60) P2RX7TBXA2RCES1KMT2AAHR
SCHEMBL24579552 0.77 P2RX7 (0.52) P2RX7TBXA2RCES1KMT2AAHR
SCHEMBL2013760 0.76 TBXA2R (0.52) P2RX7TBXA2RCES1KMT2AVNN1
SCHEMBL2013758 0.76 TBXA2R (0.52) P2RX7TBXA2RCES1KMT2AVNN1
SCHEMBL28293 0.73
SCHEMBL30075114 0.73
SCHEMBL1260719 0.73 KMT2A (0.63) CES1KMT2ALMNANAPRTP4HTM
SCHEMBL31605465 0.73
SCHEMBL1479726 0.73

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-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed