SCHEMBL19784598

SCHEMBL19784598

C(=C(/Cc1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1)\c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PLK1 P53350 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SRD5A2 P31213 1/20 0.32
ACP3 P15309 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SMPD2 O60906 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL20345317 0.96 ACP3 (0.36) SIGMAR1L3MBTL1PLK1KDM4EACP3
SCHEMBL25681190 0.96 SIGMAR1 (0.34) SIGMAR1L3MBTL1PLK1KDM4EACP3
SCHEMBL19831771 0.90 HPGD (0.33) SIGMAR1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL25056927 0.83 SIGMAR1 (0.32) SIGMAR1
SCHEMBL12982970 0.80 SIGMAR1 (0.39) SIGMAR1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL13016389 0.80 SIGMAR1 (0.39) SIGMAR1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL22360665 0.78 NR1H4 (0.38) SIGMAR1L3MBTL1KDM4EACP3ALDH1A1
SCHEMBL13821765 0.78 TDP1 (0.41) SIGMAR1L3MBTL1KDM4EACP3HPGD
SCHEMBL75887 0.76 SIGMAR1 (0.46) SIGMAR1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL6481487 0.76 SIGMAR1 (0.46) SIGMAR1L3MBTL1KDM4EALDH1A1HPGD

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-2018012780-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2018-01-18 WO disclosed