SCHEMBL9196597

SCHEMBL9196597

N=C(N)NC(=O)c1ccc(Oc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.47
F10 P00742 10/20 0.46
PKM P14618 1/20 0.45
PLG P00747 1/20 0.45
PLAT P00750 1/20 0.45
KLK1 P06870 1/20 0.45
PRSS1 P07477 1/20 0.45
TTR P02766 1/20 0.44
CA2 P00918 2/20 0.43
CA4 P22748 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2C P28335 1/20 0.43
P2RX3 P56373 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8499411 0.89 GCK (0.42) F10PKMTTRPLAU
Hydrochloric Acid SCHEMBL8743784 0.88 GCK (0.42) F10PKMTTRPLAU
Hydrochloric Acid SCHEMBL8816980 0.87 P2RX4 (0.43) P2RX4F10PKMCA2CYP2C8
SCHEMBL9195569 0.82 SMPD1 (0.50) P2RX4F10PKMPRSS1CA2
SCHEMBL9196550 0.82 PKM (0.63) PKMCA2CYP2C9KDM4EALDH1A1
SCHEMBL11446022 0.82 PKM (0.66) P2RX4F10PKMTTRCA2
SCHEMBL8068683 0.81 SMN1; SMN2 (0.41) F10KDM4ELMNAHPGDTSHR
SCHEMBL8446348 0.81 CA2 (0.43) F10CA2CA4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8059467 0.81 CA2 (0.42) F10CA2CA4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8059609 0.81 SMN1; SMN2 (0.40) F10KDM4ELMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416499-B1 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AG (DE) 1995-04-26 EP disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0416499-A2 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed