SCHEMBL9640288

SCHEMBL9640288

O=C(O)c1cccc(-n2ccnc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
CYP3A4 P08684 7/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP2C9 P11712 3/20 0.47
GAA P10253 1/20 0.47
ADH5 P11766 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PMP22 Q01453 1/20 0.43
DHODH Q02127 1/20 0.42
TBXAS1 P24557 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL726313 0.85 IDO1 (0.59) IDO1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL7780279 0.83 IDO1 (0.49) IDO1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL7980582 0.83 IDO1 (0.49) IDO1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL12470555 0.81 IDO1 (0.46) IDO1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL9530628 0.77 IDO1 (0.47) IDO1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL7114130 0.76 KDM4E (0.44) IDO1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL28766887 0.76 ADH5 (0.47) IDO1CYP3A4ADH5DHODHBAZ2B
SCHEMBL9530614 0.76 IDO1 (0.48) IDO1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL1239412 0.75 IDO1 (0.54) IDO1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL11802077 0.75 CYP19A1 (0.56) IDO1CYP3A4CYP1A2CYP2D6CYP2C19

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
US-5086088-A Photopolymerizable mixture of acrylic ester and copolymerizable monomer with an epoxy resin, photoinitiator, and curing agent MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-02-04 US claimed