SCHEMBL13812727

SCHEMBL13812727

Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(OCCc2ccccc2C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 9/20 0.51
▸ TP53 P04637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KCNMA1 Q12791 6/20 0.47
▸ MRGPRX1 Q96LB2 1/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42

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
SCHEMBL13812838 0.94 TMPRSS4 (0.55) TMPRSS4TP53MAPTKCNMA1MRGPRX1
SCHEMBL13812695 0.93 KCNMA1 (0.52) TMPRSS4TP53MAPTRAB9ASMN1; SMN2
SCHEMBL13812687 0.89 TMPRSS4 (0.50) TMPRSS4TP53MAPTRAB9ASMN1; SMN2
SCHEMBL13812629 0.88 TMPRSS4 (0.55) TMPRSS4TP53MAPTKCNMA1GRM5
SCHEMBL13812682 0.85 TMPRSS4 (0.50) TMPRSS4TP53MAPTRAB9ASMN1; SMN2
SCHEMBL13812685 0.85 TMPRSS4 (0.65) TMPRSS4KCNMA1KDM4EMEN1KMT2A
SCHEMBL13812728 0.84 TMPRSS4 (0.50) TMPRSS4MAPTSMN1; SMN2KCNMA1KDM4E
SCHEMBL13812701 0.84 KCNMA1 (0.53) TMPRSS4TP53MAPTKCNMA1KDM4E
SCHEMBL13812730 0.84 TMPRSS4 (0.49) TMPRSS4TP53MAPTKCNMA1MEN1
SCHEMBL13812816 0.83 TMPRSS4 (0.43) TMPRSS4TP53MAPTKCNMA1MRGPRX1

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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