SCHEMBL8504107

SCHEMBL8504107

N=C(N)NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.57
▸ P2RX1 P51575 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PTGS1 P23219 4/20 0.57
▸ CES2 O00748 1/20 0.57
▸ MAPT P10636 1/20 0.55
▸ KCNK3 O14649 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ KCNK9 Q9NPC2 1/20 0.51
▸ KAT6A Q92794 1/20 0.51
▸ TLR7 Q9NYK1 1/20 0.51

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 SCHEMBL8503920 0.98 NPSR1 (0.56) NPSR1P2RX1LMNAPTGS1CES2
SCHEMBL8503876 0.93 NPSR1 (0.55) NPSR1P2RX1LMNAPTGS1CES2
Hydrochloric Acid SCHEMBL8705244 0.90 KIF11 (0.52) NPSR1P2RX1LMNAPTGS1CES2
SCHEMBL9593411 0.87 P2RX1 (0.65) NPSR1P2RX1LMNAPTGS1CES2
SCHEMBL14045943 0.84 NPSR1 (0.61) NPSR1P2RX1LMNAPTGS1CES2
SCHEMBL8767967 0.83 GAA (0.58) P2RX1LMNACES2GAA
Hydrochloric Acid SCHEMBL8392423 0.82 NPSR1 (0.52) NPSR1P2RX1LMNAPTGS1CES2
Hydrochloric Acid SCHEMBL8503520 0.82 GAA (0.57) P2RX1LMNACES2GAA
SCHEMBL6991713 0.82 LMNA (0.67) NPSR1P2RX1LMNAPTGS1CES2
Hydrochloric Acid SCHEMBL8393447 0.81 NPSR1 (0.54) NPSR1P2RX1LMNAPTGS1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 — — EP claimed
CN-1222510-C Novel benzoylguanidine salt BOEHRINGER INGELHEIM PHARMA (DE) 2005-10-12 — — CN disclosed
CN-1491213-A Novel benzoylguanidine salt ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-21 — — CN disclosed
US-5866610-A Substituted benzoylguanidines, process for their preparation, their use as a pharmaceutical as inhibitors of the cellular NA+/H+ exchange or as a diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 — — US disclosed
EP-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 — — EP disclosed
EP-0612723-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-31 — — EP disclosed
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