SCHEMBL5711037

SCHEMBL5711037

OCCCN1c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL5711018 0.93 ALDH1A1 (0.40) ALDH1A1TP53MAPK1NPC1RAB9A
SCHEMBL909935 0.86 ALDH1A1 (0.53) ALDH1A1TP53MAPK1NPC1RAB9A
SCHEMBL30634566 0.86 ALDH1A1 (0.53) ALDH1A1TP53MAPK1NPC1RAB9A
SCHEMBL5710968 0.86 ALDH1A1 (0.53) ALDH1A1TP53MAPK1NPC1RAB9A
SCHEMBL5711023 0.80 PIM1 (0.38) ALDH1A1TP53MAPK1NPC1RAB9A
SCHEMBL8620570 0.79 CCKBR (0.48) CCKBRCCKAR
SCHEMBL5711036 0.78 ALDH1A1 (0.47) ALDH1A1TP53MAPK1NPC1RAB9A
SCHEMBL30634565 0.78 ALDH1A1 (0.47) ALDH1A1TP53MAPK1NPC1RAB9A
SCHEMBL5711013 0.78 ALDH1A1 (0.47) ALDH1A1TP53MAPK1NPC1RAB9A
SCHEMBL18052561 0.76 SIGMAR1 (0.36) ALDH1A1TP53MAPK1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027397-B1 ELECTROCHROME POLYMER SYSTEMS BAYER INNOVATION GMBH (DE) 2006-10-18 EP disclosed
US-6569361-B1 Polycondensation or polyaddition of electrochromic monomers are used in devices for variable transparency BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 US disclosed
EP-1027397-A1 ELECTROCHROME POLYMER SYSTEMS Bayer Aktiengesellschaft (DE) 2000-08-16 EP disclosed
WO-1999002621-A1 ELECTROCHROME POLYMER SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 1999-01-21 WO disclosed