SCHEMBL19913253

SCHEMBL19913253

Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-n3c4ccccc4c4cc(-c5cc(C)cc(C(F)(F)F)c5)ccc43)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
XDH P47989 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CTSK P43235 5/20 0.32
CTSS P25774 3/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
SQOR Q9Y6N5 2/20 0.32

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
SCHEMBL19919644 0.94 CYP11B1 (0.34) KDM4EHPGDALDH1A1GAAADORA2A
SCHEMBL19912419 0.93 AR (0.38) ARNPSR1XDHCYP1A2CYP2C9
SCHEMBL19912445 0.93 AR (0.37) ARXDHCYP11B1CYP11B2
SCHEMBL19912440 0.92 AR (0.36) ARXDHCYP11B1CYP11B2
SCHEMBL19912433 0.91 AR (0.38) ARKDM4EHPGDADORA2AADORA1
SCHEMBL19913244 0.91 ADORA2A (0.37) KDM4EHPGDADORA2AADORA1NPSR1
SCHEMBL19912416 0.91 AR (0.39) ARALDH1A1XDHMAPTTDP1
SCHEMBL19912429 0.90 AR (0.44) ARKDM4EALDH1A1GAAADORA2A
SCHEMBL19918043 0.90 AR (0.36) ARXDHCYP11B1CYP11B2
SCHEMBL19912459 0.90 ABCG2 (0.35) ARALDH1A1NPSR1XDHCTSK

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-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed