SCHEMBL14706555

SCHEMBL14706555

COc1cc(N2C(=O)c3cc(Oc4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c5c(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc6c7c(cc(Oc8ccc(N(c9ccccc9)c9ccccc9)cc8)c(c8c(Oc9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9)cc(c3c48)C2=O)c75)C(=O)N(c2cc(O)c(OC)c(OC)c2)C6=O)cc(O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.37
▸ MCHR1 Q99705 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34

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
SCHEMBL14706554 0.92 KMT2A (0.41) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL14706552 0.86 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL14706551 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL14706557 0.78 KDM4E (0.42) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL13572449 0.77 MAPT (0.36) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL14706550 0.72 ALDH1A1 (0.37) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL18873949 0.71 GRM5 (0.44) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL13572446 0.70 MCHR1 (0.35) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL10021803 0.68 KMT2A (0.56) MEN1KMT2AHTTALDH1A1NTRK1
SCHEMBL11947514 0.68 KMT2A (0.34) MEN1KMT2AHTTALDH1A1

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-8378336-B2 Liquid crystalline organic semiconductor material and organic electron device FUJIFILM CORPORATION (JP) 2013-02-19 — — US disclosed
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