SCHEMBL6824133

SCHEMBL6824133

CC(C)(C)OC(=O)N1CC2CC(C1)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc12.O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])C1CNCC2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CHRNB4 P30926 5/20 0.42
CHRNA3 P32297 5/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.37
CHRNB2 P17787 6/20 0.37
CHRNA4 P43681 6/20 0.37
NR1H2 P55055 1/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRND Q07001 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PDE4B Q07343 2/20 0.36
KCNH2 Q12809 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NAMPT P43490 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
SCHEMBL4408500 0.93 KDM4E (0.47) KDM4EMAPTALDH1A1LMNATHRB
SCHEMBL29051883 0.79 MAPT (0.52) KDM4ECHRNB4CHRNA3MAPTALDH1A1
SCHEMBL4404226 0.77 HCAR3 (0.46) KDM4EMAPTALDH1A1LMNA
SCHEMBL4407178 0.77 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
Hydrochloric Acid SCHEMBL6824751 0.76 CHRNB2 (0.58) KDM4ECHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4417154 0.75 KDM4E (0.51) KDM4EMAPTTHRBNR1H2PDE4B
SCHEMBL14524430 0.75 ALDH1A1 (0.42) CHRNB4CHRNA3MAPTALDH1A1CHRNB2
SCHEMBL24583314 0.72 ALDH1A1 (0.44) KDM4EMAPTALDH1A1LMNAPDE4B
SCHEMBL31455485 0.72 ALDH1A1 (0.44) KDM4EMAPTALDH1A1LMNAPDE4B
SCHEMBL19175230 0.72 LMNA (0.44) KDM4EMAPTALDH1A1LMNAPDE4B

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-1383733-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2004-01-28 EP disclosed
WO-2002085843-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-10-31 WO disclosed