SCHEMBL30100436

SCHEMBL30100436

O=C(NCc1ccc(C(F)(F)F)c(F)c1)c1cc(Cl)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 12/20 0.67
P2RX1 P51575 3/20 0.67
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TUBB P07437 2/20 0.52
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
P2RX4 Q99571 2/20 0.48
P2RX7 Q99572 2/20 0.48
MEN1 O00255 1/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
KMT2A Q03164 1/20 0.48
MYLK Q15746 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL23675369 1.00 TMPRSS4 (0.67) TMPRSS4P2RX1LMNAHPGDTUBB
SCHEMBL13812912 0.92 TMPRSS4 (0.68) TMPRSS4P2RX1LMNAHPGDTUBB
SCHEMBL26098397 0.87 P2RX1 (0.64) TMPRSS4P2RX1LMNAHPGDTUBB
SCHEMBL13812877 0.87 TMPRSS4 (0.68) TMPRSS4P2RX1LMNAHPGDTUBB
SCHEMBL18341428 0.83 TMPRSS4 (0.81) TMPRSS4P2RX1LMNAHPGDTUBB
SCHEMBL13812639 0.81 P2RX1 (0.66) TMPRSS4P2RX1TUBBP2RX4P2RX7
SCHEMBL23675446 0.80 TUBB (0.72) TMPRSS4P2RX1LMNAHPGDTUBB
SCHEMBL13812674 0.80 TMPRSS4 (1.00) TMPRSS4P2RX1LMNAHPGDTUBB
SCHEMBL13812668 0.80 LMNA (0.80) TMPRSS4P2RX1LMNAHPGDTUBB
SCHEMBL23303643 0.79 TMPRSS4 (0.81) TMPRSS4P2RX1P2RX4P2RX7MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4093401-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING The Board of Regents of the University of Texas System (US) 2022-11-30 EP disclosed