SCHEMBL7990689

SCHEMBL7990689

COc1cc(/C=C/[N+](=O)[O-])ccc1OCCCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
ALDH1A1 P00352 9/20 0.63
LMNA P02545 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
L3MBTL1 Q9Y468 4/20 0.63
MAPK1 P28482 3/20 0.63
POLB P06746 2/20 0.63
KDM4E B2RXH2 2/20 0.63
NPC1 O15118 1/20 0.63
USP2 O75604 1/20 0.63
NSD2 O96028 1/20 0.63
HSP90AA1 P07900 1/20 0.63
THRB P10828 1/20 0.63
PKM P14618 1/20 0.63
APEX1 P27695 1/20 0.63
RECQL P46063 1/20 0.63
RAB9A P51151 1/20 0.63
BLM P54132 1/20 0.63
KLF5 Q13887 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL7353840 1.00 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL5688725 0.85 VCP (0.68) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL5185813 0.85 ALDH1A1 (0.76) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL4903808 0.85 ALDH1A1 (0.76) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL5688729 0.85 VCP (0.68) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL27441155 0.83 VCP (0.70) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7349631 0.82 FDPS (0.67) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL2742571 0.81 VCP (0.74) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL9713042 0.81 FDPS (0.68) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL11232085 0.81 VCP (0.74) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1

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 1 patent. 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