SCHEMBL18174776

SCHEMBL18174776

Cc1cnccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccncc4C)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
DHODH Q02127 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CYP17A1 P05093 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP19A1 P11511 1/20 0.37
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
IMPDH2 P12268 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
MMP13 P45452 1/20 0.35
MAPK14 Q16539 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
RPS6KA3 P51812 2/20 0.34
CHEK1 O14757 1/20 0.34
RPS6KA5 O75582 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL18174759 0.93 CYP17A1 (0.46) GRM4DHODHS1PR1S1PR3CYP17A1
SCHEMBL18174785 0.93 DHODH (0.47) GRM4DHODHS1PR1S1PR3CYP17A1
SCHEMBL18174758 0.93 GRM4 (0.43) GRM4DHODHS1PR1S1PR3CYP17A1
SCHEMBL18174564 0.92 GRM4 (0.49) GRM4DHODHS1PR1S1PR3CYP17A1
SCHEMBL18174778 0.89 CYP19A1 (0.45) GRM4DHODHS1PR1S1PR3CYP19A1
SCHEMBL9612937 0.88 TNF (0.49) GRM4DHODHS1PR1S1PR3CYP17A1
SCHEMBL18174794 0.88 DHODH (0.42) GRM4DHODHS1PR1S1PR3CYP17A1
SCHEMBL15161039 0.88 GRM4 (0.46) GRM4DHODHS1PR1S1PR3CYP17A1
SCHEMBL9612933 0.87 TNF (0.48) GRM4DHODHS1PR1S1PR3CYP17A1
SCHEMBL18174761 0.86 GRM4 (0.39) GRM4DHODHS1PR1S1PR3CYP17A1

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-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed