SCHEMBL13812642

SCHEMBL13812642

O=C(Nc1cccc(OCCCc2ccccc2)c1)c1cc(Cl)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 9/20 0.61
▸ TMPRSS4 Q9NRS4 3/20 0.60
▸ P2RX4 Q99571 2/20 0.59
▸ P2RX7 Q99572 2/20 0.59
▸ FADS1 O60427 3/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SLC2A1 P11166 1/20 0.52
▸ NR1H4 Q96RI1 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MET P08581 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL3863657 0.95 P2RX1 (0.62) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13812562 0.88 TMPRSS4 (0.62) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13189711 0.88 P2RX1 (0.65) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13812606 0.85 P2RX1 (0.59) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13812560 0.85 P2RX1 (0.56) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13812602 0.85 P2RX1 (0.58) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13812578 0.85 P2RX1 (0.61) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13812609 0.84 TMPRSS4 (0.64) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13812591 0.83 P2RX1 (0.56) P2RX1TMPRSS4P2RX4P2RX7FADS1
SCHEMBL13812748 0.83 NR1H4 (0.55) P2RX1FADS1SIRT2MEN1KMT2A

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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