SCHEMBL9775789

SCHEMBL9775789

COc1ccc(CCN2CCN(CCC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
EBP Q15125 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
TP53 P04637 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
ABCB1 P08183 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL18760165 0.84 NPC1 (0.67) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9033333 0.78 KMT2A (0.66) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL27877058 0.78 SIGMAR1 (0.64) MEN1KMT2AEBPSIGMAR1TP53
SCHEMBL7359486 0.76 NPC1 (0.53) NPC1RAB9ALMNASMN1; SMN2NPSR1
SCHEMBL11837939 0.75 LMNA (0.61) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL12462709 0.75 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTLMNATP53
SCHEMBL9027195 0.75 SIGMAR1 (0.54) ALDH1A1EBPSIGMAR1TMEM97SMN1; SMN2
SCHEMBL8075010 0.74 SIGMAR1 (0.89) EBPSIGMAR1TMEM97
SCHEMBL27334030 0.74 SIGMAR1 (0.56) ALDH1A1MEN1KMT2AEBPSIGMAR1
SCHEMBL9129577 0.74 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTLMNA

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
JP-3246286-A None JP disclosed
JP-H03246286-A PIPERAZINE DERIVATIVE CHUGAI PHARMACEUT CO LTD 1991-11-01 JP disclosed