SCHEMBL17878210

SCHEMBL17878210

CCCc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(CC)cc5)c(=O)c4cc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 2/20 0.40
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL862788 0.85 CA12 (0.45) MGLLCA12CA1CA2CA9
SCHEMBL13695372 0.81 CA12 (0.41) MGLLCA12CA1CA2CA9
SCHEMBL21147735 0.81 POLB (0.44) MGLLCA12CA1CA2CA9
SCHEMBL18648292 0.79 POLB (0.41) MGLLCA12CA1CA2CA9
SCHEMBL15462786 0.78 POLB (0.43) MGLLCA12CA1CA2CA9
SCHEMBL15443585 0.78 POLB (0.45) MGLLCA12CA1CA2CA9
SCHEMBL6675514 0.75 CA12 (0.65) CA12CA1CA2CA9POLB
SCHEMBL18211074 0.75 FAAH (0.50) MGLLCYP3A4ESR1MAPTKDM4E
SCHEMBL9326276 0.73 MGLL (0.47) MGLLCA2CYP3A4ESR1ESR2
SCHEMBL11154258 0.73 TAAR1 (0.62) MGLLCA2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845380-B2 Ionic polyimide materials and methods of use THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2017-12-19 US disclosed
US-20160185909-A1 IONIC POLYIMIDE MATERIALS AND METHODS OF USE NATIONAL SCIENCE FOUNDATION 2016-06-30 US disclosed