SCHEMBL3784663

SCHEMBL3784663

C1=CCC(N(c2ccccc2)c2ccccc2)=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
CRHBP P24387 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
SCHEMBL19932504 0.92 ALDH1A1 (0.34) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL20059571 0.86 MEN1 (0.37) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL19302074 0.86 HTR7 (0.36) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL27060731 0.81 MEN1 (0.35) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL20059541 0.80
SCHEMBL11916890 0.79 ALDH1A1 (0.38) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL21422647 0.79 CYP1A2 (0.38) CYP1A2
SCHEMBL517101 0.78
SCHEMBL26248217 0.78 DHODH (0.36) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL13103381 0.76 ALDH1A1 (0.41) ALDH1A1MAPTTDP1L3MBTL1KDM4E

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
WO-2010090345-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE AND METHOD FOR PRODUCING RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-08-12 WO disclosed