SCHEMBL13812907

SCHEMBL13812907

COC(=O)C1CCCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc(Cl)ccc2O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 7/20 0.55
P2RX1 P51575 3/20 0.47
P2RX4 Q99571 3/20 0.47
P2RX7 Q99572 3/20 0.47
KDR P35968 7/20 0.46
TEK Q02763 5/20 0.46
LCK P06239 4/20 0.46
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
FES P07332 1/20 0.46
LYN P07948 1/20 0.46
FGR P09769 1/20 0.46
KIT P10721 1/20 0.46
JAK1 P23458 1/20 0.46
CSK P41240 1/20 0.46
JAK3 P52333 1/20 0.46
EPHB4 P54760 1/20 0.46
SLC2A1 P11166 1/20 0.45
KMT2A Q03164 3/20 0.45

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
SCHEMBL13812909 0.91 TMPRSS4 (0.58) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL330021 0.84 TMPRSS4 (0.69) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL13812897 0.80 TMPRSS4 (0.65) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL329953 0.78 GAA (0.67) TMPRSS4SRPK1ALDH1A1TSHRNPSR1
SCHEMBL13812851 0.77 TP53 (0.63) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL1705465 0.73 TMPRSS4 (0.74) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL330248 0.73 CYP1A2 (0.61) TMPRSS4KDRTEKLCKKMT2A
SCHEMBL330166 0.73 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL330394 0.72 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL330023 0.72 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7KDR

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