SCHEMBL13812611

SCHEMBL13812611

O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(Cl)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 11/20 0.66
▸ P2RX4 Q99571 3/20 0.64
▸ P2RX7 Q99572 3/20 0.64
▸ FADS1 O60427 2/20 0.61
▸ TMPRSS4 Q9NRS4 3/20 0.59
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ SLC2A1 P11166 1/20 0.56
▸ MAOA P21397 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ NR4A2 P43354 1/20 0.52
▸ KCNMA1 Q12791 1/20 0.52

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
SCHEMBL13189711 0.94 P2RX1 (0.65) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13812610 0.93 P2RX1 (0.61) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13812633 0.92 P2RX1 (0.59) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13812651 0.90 P2RX1 (0.62) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13812595 0.88 P2RX1 (0.60) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13812634 0.86 P2RX1 (0.55) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13189709 0.86 FADS1 (0.82) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13812632 0.84 P2RX1 (0.60) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL3863657 0.83 P2RX1 (0.62) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL13812606 0.83 P2RX1 (0.59) P2RX1P2RX4P2RX7FADS1TMPRSS4

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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