SCHEMBL13812620

SCHEMBL13812620

COc1ccc(NCc2cccc(NC(=O)c3cc(Cl)ccc3O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.65
▸ P2RX1 P51575 9/20 0.60
▸ P2RX4 Q99571 2/20 0.58
▸ P2RX7 Q99572 2/20 0.58
▸ TMPRSS4 Q9NRS4 4/20 0.53
▸ HIF1A Q16665 2/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ EGFR P00533 1/20 0.48

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
SCHEMBL13812621 0.90 P2RX1 (0.67) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812580 0.88 TMPRSS4 (0.69) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL18290068 0.83 P2RX1 (0.80) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL30771745 0.82 FADS1 (0.81) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL4270372 0.82 FADS1 (0.81) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812570 0.81 TMPRSS4 (0.69) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL23675409 0.80 P2RX1 (0.56) FADS1P2RX1TMPRSS4HIF1ANPC1
SCHEMBL30100465 0.80 P2RX1 (0.56) FADS1P2RX1TMPRSS4HIF1ANPC1
SCHEMBL4272739 0.80 P2RX1 (0.72) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812582 0.79 TMPRSS4 (0.69) FADS1P2RX1P2RX4P2RX7TMPRSS4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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