SCHEMBL14740720

SCHEMBL14740720

c1ccc(Cc2cccc[n+]2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
TP53 P04637 1/20 0.36
KCNH2 Q12809 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTA4H P09960 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
IDH1 O75874 1/20 0.31
HTR2A P28223 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28493418 0.77 ALDH1A1 (0.37) BCL2SMN1; SMN2ALDH1A1MAPTHTT
Bromide SCHEMBL10613331 0.75 TP53 (0.41) TP53KCNH2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL721359 0.74 CYP2D6 (0.40) CALM1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL28647625 0.74 NPC1 (0.40) SMN1; SMN2ALDH1A1RAB9AL3MBTL1MAPT
Bromide SCHEMBL11215458 0.73 CALM1 (0.42) CALM1TP53KCNH2APOBEC3AAPOBEC3G
SCHEMBL31373271 0.72 CALM1 (0.46) CALM1TP53KCNH2APOBEC3AAPOBEC3G
SCHEMBL2727907 0.72 ALDH1A1 (0.50) CALM1TP53KCNH2APOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL2006410 0.71 CALM1 (0.44) CALM1TP53KCNH2APOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL31373256 0.71 CALM1 (0.44) CALM1TP53KCNH2APOBEC3AAPOBEC3G
Bromide SCHEMBL28254649 0.71 CALM1 (0.44) CALM1TP53KCNH2APOBEC3AAPOBEC3G

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-2750688-A2 METHODS AND COMPOSITIONS FOR PROMOTING GLUCOSE HOMEOSTASIS Children's Medical Center Corporation (US) 2014-07-09 EP disclosed
WO-2013033366-A2 METHODS AND COMPOSITIONS FOR PROMOTING GLUCOSE HOMEOSTASIS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-03-07 WO disclosed