SCHEMBL13812911

SCHEMBL13812911

O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 10/20 0.68
P2RX1 P51575 7/20 0.68
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
P2RX4 Q99571 4/20 0.58
P2RX7 Q99572 4/20 0.58
MEN1 O00255 1/20 0.55
IKBKB O14920 1/20 0.55
CHUK O15111 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
KMT2A Q03164 1/20 0.55
MYLK Q15746 1/20 0.55
MAP4K5 Q9Y4K4 1/20 0.55
SLC2A1 P11166 1/20 0.55
DDR1 Q08345 2/20 0.52
CHRNA7 P36544 1/20 0.50
TP53 P04637 1/20 0.49
CDK1 P06493 1/20 0.49
TUBB P07437 1/20 0.47

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
SCHEMBL30100387 0.87 TMPRSS4 (0.67) TMPRSS4P2RX1LMNAHPGDP2RX4
SCHEMBL23675370 0.87 TMPRSS4 (0.67) TMPRSS4P2RX1LMNAHPGDP2RX4
SCHEMBL18341428 0.84 TMPRSS4 (0.81) TMPRSS4P2RX1LMNAHPGDP2RX4
SCHEMBL13812674 0.81 TMPRSS4 (1.00) TMPRSS4P2RX1LMNAHPGDP2RX4
SCHEMBL13812668 0.81 LMNA (0.80) TMPRSS4P2RX1LMNAHPGDP2RX4
SCHEMBL30100395 0.79 ERCC1 (0.59) TMPRSS4P2RX1LMNAP2RX4P2RX7
SCHEMBL23675382 0.79 ERCC1 (0.59) TMPRSS4P2RX1LMNAP2RX4P2RX7
SCHEMBL330023 0.79 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812877 0.78 TMPRSS4 (0.68) TMPRSS4P2RX1LMNAHPGDP2RX4
SCHEMBL13812881 0.78 ACLY (0.54) TMPRSS4P2RX1LMNAHPGDMEN1

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