SCHEMBL19831771

SCHEMBL19831771

C(=C(/Cc1ccccc1)c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(/Cc5ccccc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)cc1)\c1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL19784598 0.90 SIGMAR1 (0.37) HPGDALDH1A1SMN1; SMN2SIGMAR1L3MBTL1
SCHEMBL12982970 0.90 SIGMAR1 (0.39) HPGDALDH1A1SMN1; SMN2SIGMAR1F2
SCHEMBL13016389 0.90 SIGMAR1 (0.39) HPGDALDH1A1SMN1; SMN2SIGMAR1F2
SCHEMBL20345317 0.88 ACP3 (0.36) HPGDALDH1A1SMN1; SMN2SIGMAR1NR1H4
SCHEMBL25681190 0.86 SIGMAR1 (0.34) SIGMAR1NR1H4L3MBTL1KDM4E
SCHEMBL22360665 0.86 NR1H4 (0.38) HPGDALDH1A1SMN1; SMN2SIGMAR1F2
SCHEMBL13821765 0.78 TDP1 (0.41) HPGDSMN1; SMN2SIGMAR1L3MBTL1KDM4E
SCHEMBL25056927 0.75 SIGMAR1 (0.32) SIGMAR1
SCHEMBL25567374 0.71 PTGS1 (0.38) NR1H4
SCHEMBL12194691 0.70 BCHE (0.39) ALDH1A1L3MBTL1

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
WO-2018021737-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-01 WO disclosed