SCHEMBL13656272

SCHEMBL13656272

N#Cc1cc(C#N)cc(-c2c3ccccc3c(-c3cc(C#N)cc(C#N)c3)c3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
GRM5 P41594 3/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ADORA2A P29274 1/20 0.39
CLK4 Q9HAZ1 3/20 0.38
METAP2 P50579 1/20 0.38
TNKS O95271 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 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
SCHEMBL13170768 0.79 ADORA2A (0.53) TSHRADORA2ACLK4ALDH1A1MEN1
SCHEMBL13513173 0.79 TSHR (0.52) TSHRCA1CA2TNKSALDH1A1
SCHEMBL18462135 0.78 CYP11B2 (0.49) METAP2CYP1A2
SCHEMBL21950762 0.78 GRM5 (0.38) TSHRGRM5CA1CA2ADORA2A
SCHEMBL20282570 0.78 PTGER4 (0.38) TSHRGRM5CA1CA2ADORA2A
SCHEMBL13191989 0.77 MMP3 (0.52) TSHRCA1CA2TNKSALDH1A1
SCHEMBL20282426 0.77 GRM5 (0.37) TSHRGRM5CA1CA2ADORA2A
SCHEMBL20282611 0.77 PTGER4 (0.37) TSHRGRM5CA1CA2ADORA2A
SCHEMBL19310466 0.77 ADORA2A (0.50) TSHRADORA2ACLK4ALDH1A1MEN1
SCHEMBL18461769 0.77 CYP11B2 (0.47) METAP2CYP1A2

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-20090243473-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-10-01 US disclosed
EP-2053672-A1 ORGANIC ELECTROLUMINESCENCE DEVICE Idemitsu Kosan Co., Ltd. (JP) 2009-04-29 EP disclosed