SCHEMBL8445993

SCHEMBL8445993

CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(C(=O)NC(=N)N)cc3C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
MCL1 Q07820 1/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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 SCHEMBL8070562 0.99 ALDH1A1 (0.47) ALDH1A1KMT2ALMNASMN1; SMN2CYP2C9
SCHEMBL8059494 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ALMNASMN1; SMN2CYP2C9
SCHEMBL8445996 0.84 ALDH1A1 (0.49) ALDH1A1KMT2ALMNACYP2C9CYP3A4
Hydrochloric Acid SCHEMBL8070565 0.83 ALDH1A1 (0.48) ALDH1A1KMT2ALMNACYP2C9CYP3A4
SCHEMBL8070147 0.83 TSHR (0.40) ALDH1A1KMT2A
SCHEMBL8059411 0.82 HDAC3 (0.39) MAPT
SCHEMBL8061430 0.81 MRGPRX1 (0.40) MCL1
SCHEMBL8767698 0.78 F2 (0.45) LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8505884 0.77 F2 (0.44) LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8506593 0.77 BRAF (0.43) KMT2ACYP1A2CYP2C19MEN1MAPT

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-0723956-B1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AG (DE) 1999-10-13 EP claimed
EP-0723956-A1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP claimed
EP-0723956-B1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AG (DE) 1999-10-13 EP disclosed
EP-0723956-A1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed