SCHEMBL7797854

SCHEMBL7797854

N=C(N)NC(=O)c1cc(C(F)(F)F)c(O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 11/20 0.41
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
P2RX1 P51575 3/20 0.35
P2RX4 Q99571 3/20 0.35
P2RX7 Q99572 3/20 0.35
KDR P35968 2/20 0.35
MEN1 O00255 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
FLT3 P36888 1/20 0.35
KMT2A Q03164 1/20 0.35
MYLK Q15746 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
PYGL P06737 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34

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
Hydrochloric Acid SCHEMBL7791912 0.99 TMPRSS4 (0.40) TMPRSS4RAB9ATP53MAPTSMN1; SMN2
SCHEMBL8428726 0.84 TP53 (0.39) TMPRSS4RAB9ATP53MAPTSMN1; SMN2
SCHEMBL7799902 0.84 ALDH1A1 (0.38) TMPRSS4RAB9ATP53P2RX1CYP1A2
Hydrochloric Acid SCHEMBL8337102 0.83 TP53 (0.38) TMPRSS4RAB9ATP53MAPTSMN1; SMN2
SCHEMBL8426433 0.83 POLB (0.38) TMPRSS4RAB9ATP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7791930 0.83 ALDH1A1 (0.38) TMPRSS4RAB9ATP53P2RX1CYP1A2
Hydrochloric Acid SCHEMBL8332842 0.82 POLB (0.38) TMPRSS4RAB9ATP53MAPTSMN1; SMN2
SCHEMBL8428710 0.81 MAPT (0.40) RAB9AMAPTMEN1KMT2APYGL
SCHEMBL8428388 0.81 S1PR1 (0.39) TMPRSS4RAB9ATP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8333467 0.80 S1PR1 (0.38) TMPRSS4RAB9ATP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794172-B1 Orthosubstituted benzoylguanidines HOECHST AG (DE) 2001-10-24 EP claimed
EP-0811610-B1 Ortho-substituted benzoylguanidines process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AG (DE) 2001-11-28 EP disclosed
CN-1064956-C Ortho-substd. benzoyl guanidine, its preparing method, use thereof and medicine contg. same HOECHST AG (DE) 2001-04-25 CN disclosed
CN-1175572-A Ortho-substd. benzoyl guanidine, its preparing method, use thereof and medicine contg. same HOECHST AG (DE) 1998-03-11 CN disclosed
EP-0811610-A1 Ortho-substituted benzoylguanidines process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed