SCHEMBL7408707

SCHEMBL7408707

COc1cccc(/C=C/N(C)C)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.49
GAA P10253 2/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 3/20 0.44
AR P10275 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 2/20 0.41
NTSR1 P30989 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 4/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7408714 1.00 PRMT1 (0.49) PRMT1GAAGFERALDH1A1MAPT
SCHEMBL9689658 0.86 KMT2A (0.49) PRMT1GAAALDH1A1MAPTTDP1
SCHEMBL10409069 0.86 KMT2A (0.49) PRMT1GAAALDH1A1MAPTTDP1
SCHEMBL4715718 0.85 TLR4 (0.51) GAAALDH1A1MAPTTDP1MEN1
SCHEMBL4715716 0.85 TLR4 (0.51) GAAALDH1A1MAPTTDP1MEN1
SCHEMBL10535536 0.82 CCNB2 (0.46) GAAMAPTTDP1MEN1KMT2A
SCHEMBL10535540 0.82 CCNB2 (0.46) GAAMAPTTDP1MEN1KMT2A
SCHEMBL11836212 0.81 ALDH1A1 (0.56) GAAALDH1A1MAPTTDP1MEN1
SCHEMBL11836225 0.81 ALDH1A1 (0.56) GAAALDH1A1MAPTTDP1MEN1
SCHEMBL7298528 0.81 TSHR (0.50) GAAALDH1A1MAPTTDP1CYP19A1

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
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed