SCHEMBL7097555

SCHEMBL7097555

O=CN(c1cc(Cl)cc(Cl)c1)c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7098597 0.77 NOTUM (0.54) NOTUMALDH1A1LMNAMEN1KMT2A
SCHEMBL7097558 0.74 MAPK1 (0.57) NOTUMMEN1KMT2ANPC1RAB9A
SCHEMBL7097840 0.73 ALDH1A1 (0.65) NOTUMALDH1A1LMNAMEN1KMT2A
SCHEMBL2554923 0.71 NOTUM (0.60) NOTUMALDH1A1LMNAMEN1KMT2A
SCHEMBL2561801 0.70 KMT2A (0.56) NOTUMALDH1A1LMNAMEN1KMT2A
SCHEMBL2564545 0.68 MAPT (0.62) NOTUMALDH1A1LMNAMEN1KMT2A
SCHEMBL14096013 0.66 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL10998715 0.65 RAB9A (0.64) NOTUMALDH1A1LMNAMEN1KMT2A
SCHEMBL15330595 0.65 NPC1 (0.65) NOTUMALDH1A1LMNAMEN1KMT2A
SCHEMBL2559946 0.65 MAPK1 (0.59) NOTUMALDH1A1LMNAMEN1KMT2A

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-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP claimed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO claimed