SCHEMBL14706557

SCHEMBL14706557

COc1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(N(c3ccc(N5C(=O)c6ccc7c8c(ccc(c68)C5=O)C(=O)N(c5cc(O)c(O)c(O)c5)C7=O)cc3)c3ccc(N5C(=O)c6ccc7c8c(ccc(c68)C5=O)C(=O)N(c5cc(OC)c(OC)c(OC)c5)C7=O)cc3)cc2)C4=O)cc(O)c1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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 0.78 KMT2A (0.41) POLBESR1MEN1KMT2AHTT
SCHEMBL14706555 0.78 MEN1 (0.41) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL14706559 0.77 ALDH1A1 (0.36) KDM4EHSD17B10POLBMEN1KMT2A
SCHEMBL14706550 0.77 ALDH1A1 (0.37) KDM4EHSD17B10POLBMEN1KMT2A
SCHEMBL14706551 0.76 MEN1 (0.41) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL14706552 0.76 ALDH1A1 (0.42) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL14706338 0.69 GAA (0.38) KDM4EPOLBAPAF1RAB9AMEN1
SCHEMBL14706556 0.69 NPC1 (0.53) KDM4EPOLBAPAF1RAB9AESR1
SCHEMBL29168848 0.68 ALDH1A1 (0.55) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL30758585 0.68 ALDH1A1 (0.55) POLBRAB9AMEN1KMT2AALDH1A1

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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