SCHEMBL5710995

SCHEMBL5710995

F[B-](F)(F)F.F[B-](F)(F)F.OCCCCCCCCCCC[n+]1ccc(-c2cc[n+](Cc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 4/20 0.44
CHKA P35790 7/20 0.43
CHRNA7 P36544 3/20 0.41
CHRNA10 Q9GZZ6 3/20 0.41
CHRNA9 Q9UGM1 3/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 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
SCHEMBL5710972 0.94 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9ALMNACHKA
Bromide SCHEMBL7169216 0.92 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9ALMNACHKA
SCHEMBL5710992 0.89 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9ALMNACHKA
SCHEMBL5711022 0.86 MEN1 (0.53) KDM4ERAB9ALMNACHKAMEN1
SCHEMBL7166796 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ALMNACHKA
Benzyl Viologen SCHEMBL3767137 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ERAB9ALMNACHKA
Benzyl Viologen SCHEMBL9298734 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ERAB9ALMNACHKA
SCHEMBL2609280 0.79 MEN1 (0.61) KDM4ERAB9ALMNACHKAMEN1
SCHEMBL2609284 0.79 MEN1 (0.61) KDM4ERAB9ALMNACHKAMEN1
SCHEMBL13767872 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9ALMNACHKA

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-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