SCHEMBL13812554

SCHEMBL13812554

O=C(Nc1cccc(NCc2ccc3c(c2)OCO3)c1)c1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ P2RX1 P51575 5/20 0.56
▸ P2RX4 Q99571 2/20 0.56
▸ P2RX7 Q99572 2/20 0.56
▸ MAPT P10636 5/20 0.53
▸ MCHR1 Q99705 1/20 0.53
▸ INSR P06213 1/20 0.53
▸ IGF1R P08069 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ TMPRSS4 Q9NRS4 2/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 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
SCHEMBL13812634 0.83 P2RX1 (0.55) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL13189702 0.83 NPC1 (0.70) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL13812570 0.82 TMPRSS4 (0.69) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL13812580 0.80 TMPRSS4 (0.69) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL13812621 0.80 P2RX1 (0.67) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812556 0.79 P2RX1 (0.60) P2RX1P2RX4P2RX7SMN1; SMN2TMPRSS4
SCHEMBL13812558 0.78 P2RX1 (0.59) P2RX1P2RX4P2RX7SMN1; SMN2TMPRSS4
SCHEMBL13189708 0.76 NPC1 (0.74) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL3881082 0.75 FADS1 (0.56) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL11932152 0.74 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4SLC2A1

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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