SCHEMBL27634142

SCHEMBL27634142

Nc1cc2c3c(cccc3c1)C(=C=O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
AHR P35869 1/20 0.36
RECQL P46063 1/20 0.36
CYP2D6 P10635 1/20 0.35
FTO Q9C0B1 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 1/20 0.34
CYP1A2 P05177 2/20 0.33
BLM P54132 1/20 0.33

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
Water SCHEMBL27560498 0.98 MPO (0.41) MPOKDM4EALDH1A1HPGDMAPT
SCHEMBL30067485 0.69 ALDH1A1 (0.62) MPOKDM4EALDH1A1HPGDMAPT
SCHEMBL9482800 0.69 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL5367551 0.65 ALDH1A1 (0.44) MPOKDM4EALDH1A1HPGDMAPT
SCHEMBL25141341 0.65 MPO (0.34) MPOALDH1A1MAPTMEN1POLB
SCHEMBL30067264 0.65 MPO (0.47) MPOKDM4EALDH1A1HPGDMAPT
SCHEMBL23022693 0.63 ALDH1A1 (0.58) MPOKDM4EALDH1A1HPGDMAPT
SCHEMBL5574510 0.62 CYP3A4 (0.61) MPOKDM4EALDH1A1HPGDMEN1
SCHEMBL9428112 0.62 CYP3A4 (0.34) KDM4EALDH1A1HPGD
SCHEMBL5051603 0.62 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMAPTMEN1

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
CN-1829819-A Process for the production of strongly adherent coatings CIBA SC HOLDING AG (CH) 2006-09-06 CN disclosed