SCHEMBL18174747

SCHEMBL18174747

Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccncc5)cc4)c4ccccc34)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
IMPDH2 P12268 1/20 0.44
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NOTUM Q6P988 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CDK7 P50613 1/20 0.38
MAPK14 Q16539 3/20 0.37
GRM5 P41594 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
GBA1 P04062 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15161112 0.93 CYP2A6 (0.47) CYP2A6CYP11B1CYP11B2CDK7PRMT5
SCHEMBL15160987 0.93 CYP2A6 (0.41) CYP2A6IMPDH2CYP11B1CYP11B2NOTUM
SCHEMBL18174777 0.92 CYP2A6 (0.40) CYP2A6IMPDH2CYP11B1CYP11B2PDGFRB
SCHEMBL18174705 0.89 CYP2A6 (0.38) CYP2A6IMPDH2CYP11B1CYP11B2CDK7
SCHEMBL18174672 0.89 CYP2A6 (0.38) CYP2A6IMPDH2CYP11B1CYP11B2CDK7
SCHEMBL15160972 0.88 CYP2A6 (0.46) CYP2A6CYP11B1CYP11B2PDGFRBPDGFRA
SCHEMBL15160922 0.87 WNT3A (0.48) CYP2A6CYP11B1CYP11B2WNT3A
SCHEMBL15161047 0.86 CYP11B2 (0.43) CYP2A6CYP11B1CYP11B2CDK7PRMT5
SCHEMBL18162727 0.86 CYP2A6 (0.41) CYP2A6CYP11B1CYP11B2CDK7PRMT5
SCHEMBL15160916 0.86 DHODH (0.46) CYP2A6CYP11B1CYP11B2PRMT5WDR77

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