SCHEMBL7355908

SCHEMBL7355908

COc1cccc(C=C[N+](=O)[O-])c1OCCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.62
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
SCN9A Q15858 1/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL7355906 1.00 PRMT1 (0.62) PRMT1PTGER4PTGER3PTGER2TLR4
SCHEMBL7355432 0.91 PRMT1 (0.62) PRMT1PTGER4PTGER3PTGER2TLR4
SCHEMBL7350252 0.82 NPC1 (0.55) PTGER4PTGER3PTGER2SCN9ANPC1
SCHEMBL7361871 0.80 TLR4 (0.49) PRMT1TLR4TLR2NPC1ALDH1A1
SCHEMBL7361868 0.80 TLR4 (0.49) PRMT1TLR4TLR2NPC1ALDH1A1
SCHEMBL17583850 0.78 PRMT1 (0.69) PRMT1PTGER4PTGER3PTGER2TLR4
SCHEMBL17583849 0.78 PRMT1 (0.69) PRMT1PTGER4PTGER3PTGER2TLR4
SCHEMBL7990689 0.78 MAPT (0.63) TLR4TLR2NPC1ALDH1A1LMNA
SCHEMBL7353840 0.78 MAPT (0.63) TLR4TLR2NPC1ALDH1A1LMNA
SCHEMBL1011167 0.78 PRMT1 (1.00) PRMT1TLR4TLR2ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297257-B1 Benzazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2001-10-02 US disclosed
EP-1060173-A2 BENZAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-12-20 EP disclosed
WO-1999032449-A2 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed