SCHEMBL21398528

SCHEMBL21398528

C=C=C=Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.50
ALDH1A1 P00352 1/20 0.41
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
HTR3B O95264 1/20 0.33
PLAU P00749 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 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
SCHEMBL4909471 0.83 MIF (0.60) MIFALDH1A1HTR3ESLC22A2SLC22A1
SCHEMBL2003688 0.78
SCHEMBL10863572 0.74 MIF (0.50) MIFALDH1A1HTR3ESLC22A2SLC22A1
SCHEMBL17067443 0.74 MIF (0.50) MIFALDH1A1HTR3ESLC22A2SLC22A1
SCHEMBL156948 0.71 MIF (0.60) MIFALDH1A1HTR3ESLC22A2SLC22A1
Ethylene SCHEMBL15090386 0.68 MIF (0.50) MIFALDH1A1HTR3ESLC22A2SLC22A1
Ethylene SCHEMBL28872841 0.68 CYP3A4 (0.50) MIFALDH1A1HTR3ESLC22A2SLC22A1
Formaldehyde SCHEMBL5622417 0.68 CYP3A4 (0.50) MIFALDH1A1HTR3ESLC22A2SLC22A1
SCHEMBL1009084 0.68 MIF (0.50) MIFALDH1A1HTR3ESLC22A2SLC22A1
SCHEMBL132994 0.67

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-2019181124-A1 DICYCLOPENTADIENE-BASED RING-OPENED POLYMER HYDRIDE, METHOD FOR PRODUCING SAME, RESIN MOLDED ARTICLE, RESIN FILM, AND METHOD FOR PRODUCING STRETCHED FILM 日本ゼオン株式会社 2019-09-26 WO disclosed