SCHEMBL3269797

SCHEMBL3269797

CN1c2[c]cccc2Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
P2RX4 Q99571 13/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 1/20 0.34
P2RX1 P51575 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3269697 0.78 P2RX4 (0.39) ALDH1A1P2RX4SMN1; SMN2MAPTNPSR1
SCHEMBL47007 0.78 KDM4E (0.55) KDM4EALDH1A1P2RX4SMN1; SMN2MAPT
SCHEMBL31067286 0.78 KDM4E (0.55) KDM4EALDH1A1P2RX4SMN1; SMN2MAPT
Hydrogen Sulfide SCHEMBL28845788 0.76 KDM4E (0.53) KDM4EALDH1A1P2RX4SMN1; SMN2MAPT
SCHEMBL3268784 0.76 P2RX4 (0.37) ALDH1A1P2RX4SMN1; SMN2MAPTNPSR1
SCHEMBL195171 0.71 KDM4E (0.43) KDM4EALDH1A1P2RX4SMN1; SMN2MAPT
SCHEMBL2804853 0.71 MAOA (0.62) KDM4EALDH1A1MAPTNPSR1MAOA
SCHEMBL12532095 0.71 KDM4E (0.45) KDM4EALDH1A1P2RX4SMN1; SMN2MAPT
SCHEMBL4012288 0.69 KDM4E (0.46) KDM4EALDH1A1P2RX4SMN1; SMN2MAPT
Formic Acid SCHEMBL8502185 0.68 P2RX4 (0.49) KDM4EALDH1A1P2RX4SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2115533-B1 PHOTOCHROMIC H-ANNELLATED BENZO(F)CHROMENES RODENSTOCK GMBH (DE) 2010-06-30 EP claimed
EP-2115533-A1 PHOTOCHROMIC H-ANNELLATED BENZOÝF¨CHROMENES Rodenstock GmbH (DE) 2009-11-11 EP claimed
WO-2008077634-A1 PHOTOCHROMIC H-ANNELLATED BENZO[F]CHROMENES RODENSTOCK GMBH (DE) 2008-07-03 WO claimed
EP-2115533-B1 PHOTOCHROMIC H-ANNELLATED BENZO(F)CHROMENES RODENSTOCK GMBH (DE) 2010-06-30 EP disclosed
EP-2115533-A1 PHOTOCHROMIC H-ANNELLATED BENZOÝF¨CHROMENES Rodenstock GmbH (DE) 2009-11-11 EP disclosed
WO-2008077634-A1 PHOTOCHROMIC H-ANNELLATED BENZO[F]CHROMENES RODENSTOCK GMBH (DE) 2008-07-03 WO disclosed