SCHEMBL13812634

SCHEMBL13812634

O=C(Nc1cccc(OCc2ccc3c(c2)OCO3)c1)c1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 7/20 0.55
▸ MAPT P10636 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ P2RX4 Q99571 2/20 0.53
▸ P2RX7 Q99572 2/20 0.53
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ FADS1 O60427 2/20 0.52
▸ F10 P00742 1/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL13812611 0.86 P2RX1 (0.66) P2RX1P2RX4P2RX7MAOAMAOB
SCHEMBL13812554 0.83 MEN1 (0.59) P2RX1MAPTTSHRNPSR1ALDH1A1
SCHEMBL13189711 0.83 P2RX1 (0.65) P2RX1P2RX4P2RX7FADS1MEN1
SCHEMBL13812610 0.82 P2RX1 (0.61) P2RX1P2RX4P2RX7MAOAMAOB
SCHEMBL13812595 0.81 P2RX1 (0.60) P2RX1P2RX4P2RX7MAOAMAOB
SCHEMBL13812651 0.81 P2RX1 (0.62) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13812633 0.81 P2RX1 (0.59) P2RX1P2RX4P2RX7MAOAMAOB
SCHEMBL13189702 0.80 NPC1 (0.70) P2RX1MAPTTSHRNPSR1ALDH1A1
SCHEMBL13812632 0.79 P2RX1 (0.60) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13189709 0.77 FADS1 (0.82) P2RX1MAPTTSHRALOX15MAPK1

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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