SCHEMBL13333976

SCHEMBL13333976

Cc1ccccc1-c1c2cc(N(c3ccccc3)c3ccccc3)ccc2c(-c2cccc3ccccc23)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ DHFR P00374 2/20 0.33
▸ C5AR1 P21730 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL13333650 0.93 SIGMAR1 (0.37) SIGMAR1ALDH1A1DHFRCYP1A2SOS1
SCHEMBL12014674 0.91 SIGMAR1 (0.38) SIGMAR1DHFRSOS1KDM4EMCL1
SCHEMBL13806984 0.88 CA12 (0.36) SIGMAR1ALDH1A1CYP2A6C5AR1CYP1A2
SCHEMBL13333914 0.88 SIGMAR1 (0.34) SIGMAR1ALDH1A1HPGDHSD17B10SOS1
SCHEMBL13333974 0.87 SIGMAR1 (0.33) SIGMAR1DHFRSOS1MCL1
SCHEMBL13333633 0.87 SOS1 (0.37) SIGMAR1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL13333759 0.86 SIGMAR1 (0.35) SIGMAR1ALDH1A1HPGDHSD17B10SOS1
SCHEMBL13333977 0.86 ENPP1 (0.34) SIGMAR1ALDH1A1DHFRTSHRMAPK1
SCHEMBL8406123 0.86 SOS1 (0.39) ALDH1A1DHFRCYP1A2HPGDHSD17B10
SCHEMBL12014672 0.86 SOS1 (0.39) ALDH1A1DHFRCYP1A2HPGDHSD17B10

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
EP-2194110-A1 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-06-09 — — EP disclosed
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