SCHEMBL13355627

SCHEMBL13355627

O=C(c1ccccc1)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.68
▸ RAB9A P51151 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ LMNA P02545 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SRD5A2 P31213 2/20 0.48
▸ CES2 O00748 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ DEGS1 O15121 1/20 0.45
▸ LIG1 P18858 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL1108033 0.93 RAB9A (0.55) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL14089219 0.93 LMNA (0.58) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL12544643 0.90 RAB9A (0.56) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL12239728 0.90 RAB9A (0.50) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL12948078 0.85 ALDH1A1 (0.52) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL12240446 0.84 SRD5A2 (0.56) MEN1RAB9AKMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL9618091 0.83 SLC22A2 (0.47) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL2214895 0.82 RAB9A (1.00) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL13911035 0.81 MEN1 (0.44) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL13021244 0.80 SRD5A2 (0.63) RAB9ALMNAMAPTHTTSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184738-A1 METHOD FOR PRODUCING MEDIUM ON WHICH INFORMATION IS RECORDED BY PIT PATTERN Fujifilm Corporation (JP) 2010-05-12 — — EP disclosed
Send feedback