SCHEMBL7578629

SCHEMBL7578629

O=C(Nc1ccc(Br)cc1)c1[c]cccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
TP53 P04637 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
MEN1 O00255 11/20 0.51
KMT2A Q03164 11/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 1/20 0.45
S1PR3 Q99500 1/20 0.45
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL483177 0.86 RAB9A (0.49) RAB9ATP53MEN1KMT2ASMN1; SMN2
SCHEMBL27499232 0.85 LMNA (0.53) RAB9ANPC1TP53MAOAMAOB
SCHEMBL11410940 0.83 NPC1 (0.57) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL7583871 0.83 NPC1 (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28142622 0.80 RAB9A (0.60) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL17845891 0.76 KMT2A (0.49) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL224092 0.76 HDAC8 (0.46) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL16568339 0.75 MAOA (0.64) RAB9ANPC1TP53MAOAMAOB
SCHEMBL2701740 0.75 FADS1 (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7367482 0.75 PTGS2 (0.55) BLM

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 3 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
US-5985858-A TREATING AND PREVENTING HYPERLIPIDEMIA, DIABETES AND CATARACT, OR AS AN ANTITUMOR AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed