SCHEMBL7583446

SCHEMBL7583446

O=C(Nc1ccc(Br)cc1)c1[c]cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMO Q99835 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7573660 0.88 NPC1 (0.46) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL7240252 0.79 NPC1 (0.51) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL7574535 0.79 F10 (0.45) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL8436505 0.75 KMT2A (0.44) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL6228359 0.75 NPC1 (0.49) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7585606 0.74 ALDH1A1 (0.39) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7578629 0.73 RAB9A (0.54) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL6127974 0.73 JAK2 (0.69) NPC1RAB9AMAPTSMN1; SMN2MAOB
SCHEMBL8436507 0.70 NPC1 (0.41) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL17845891 0.70 KMT2A (0.49) KMT2AMEN1NPC1RAB9ALMNA

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-0882730-B1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-10-02 EP disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed