SCHEMBL9822955

SCHEMBL9822955

C=C(c1ccccc1)c1ccc(N(CCCCCCCC)CCCCCCCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CNR2 P34972 4/20 0.44
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
GRM2 Q14416 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL610171 0.94 MEN1 (0.56) MEN1KMT2ACNR2ALOX5GRM2
SCHEMBL612422 0.87 MEN1 (0.59) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL1962996 0.84 RAB9A (0.53) CNR2PTGESALOX5NPC1JAK2
SCHEMBL16937421 0.84 RAB9A (0.53) CNR2PTGESALOX5NPC1JAK2
SCHEMBL2370361 0.84 CES2 (0.55) CNR2PTGESALOX5NPC1JAK2
SCHEMBL25230044 0.81 NPC1 (0.53) CNR2NPC1JAK2RAB9APAX8
SCHEMBL25223686 0.81 NPC1 (0.53) CNR2NPC1JAK2RAB9APAX8
SCHEMBL25278096 0.81 NPC1 (0.53) CNR2NPC1JAK2RAB9APAX8
SCHEMBL25270420 0.81 NPC1 (0.53) CNR2NPC1JAK2RAB9APAX8
SCHEMBL25224593 0.81 NPC1 (0.53) CNR2NPC1JAK2RAB9APAX8

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-0242170-B1 DIVINYL COMPOUNDS AND CHROMOGENIC RECORDING-MATERIAL PREPARED BY USE THEREOF YAMADA CHEMICAL CO., LTD. (JP) 1991-09-18 EP disclosed
US-4835291-A Divinyl compounds and chromogenic recording-material prepared by using thereof YAMADA CHEMICAL CO., LTD. (JP) 1989-05-30 US disclosed
EP-0242170-A2 Divinyl compounds and chromogenic recording-material prepared by use thereof YAMADA CHEMICAL CO., LTD. (JP) 1987-10-21 EP disclosed