SCHEMBL7861310

SCHEMBL7861310

CCC(CN1C=NCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP19A1 P11511 8/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PPIA P62937 2/20 0.37
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
PPIF P30405 1/20 0.37
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL7861067 0.90 KMT2A (0.45) MAPTKMT2AMEN1CYP19A1CYP11B1
SCHEMBL7861125 0.90 MEN1 (0.39) MAPTKMT2AMEN1PPIAALDH1A1
SCHEMBL7861001 0.85 NPC1 (0.35) CYP19A1CYP11B1CYP11B2ALDH1A1CNR1
SCHEMBL7864331 0.82 NPC1 (0.40) MAPTKMT2AMEN1CYP19A1PPIA
SCHEMBL7861144 0.80 MEN1 (0.44) MAPTKMT2AMEN1CYP19A1CYP11B1
SCHEMBL7860112 0.78 NISCH (0.31) MAPTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL7860116 0.77 EZH2 (0.36) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL7862260 0.75 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2ALDH1A1CNR1
SCHEMBL7861286 0.73 MEN1 (0.42) MAPTKMT2AMEN1PPIAALDH1A1
SCHEMBL20917661 0.71 MEN1 (0.58) MAPTKMT2AMEN1CYP19A1CYP11B1

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-0625969-B1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMA INC (US) 2001-03-07 EP claimed
EP-0625969-B1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMA INC (US) 2001-03-07 EP disclosed