SCHEMBL11038249

SCHEMBL11038249

COc1ccc2[nH]ccc2c1/C=C/[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.48
PRMT1 Q99873 1/20 0.43
LMNA P02545 5/20 0.42
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SYK P43405 2/20 0.42
EGFR P00533 2/20 0.42
GALR2 O43603 1/20 0.42
FBP1 P09467 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 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
SCHEMBL11038251 1.00 VCP (0.48) VCPPRMT1LMNAMAPTNPSR1
SCHEMBL3221423 0.80 VCP (0.47) VCPPRMT1LMNAMAPTNPSR1
SCHEMBL3230555 0.80 VCP (0.47) VCPPRMT1LMNAMAPTNPSR1
SCHEMBL8464220 0.77 MTNR1A (0.46) ALDH1A1MTNR1AMTNR1BTUBB4ATUBB
SCHEMBL4384056 0.76 MEN1 (0.47) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL8709084 0.74 MAPT (0.66) VCPPRMT1LMNAMAPTNPSR1
SCHEMBL20561887 0.74 PRMT1 (0.55) VCPPRMT1LMNAMAPTNPSR1
SCHEMBL20561884 0.74 PRMT1 (0.55) VCPPRMT1LMNAMAPTNPSR1
SCHEMBL31618276 0.74 MAPT (0.66) VCPPRMT1LMNAMAPTNPSR1
SCHEMBL8709081 0.74 MAPT (0.66) VCPPRMT1LMNAMAPTNPSR1

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
EP-0162695-A1 6-Oxygenated-1,3,,4,5-Tetrahydrobenz(cd)indol-4-amines SMITHKLINE BEECHAM CORPORATION (US) 1985-11-27 EP disclosed