SCHEMBL8440609

SCHEMBL8440609

COC(=O)c1cc(C(=O)NCCN(C)C)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
ADORA1 P30542 1/20 0.42
PDE4B Q07343 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.42
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
FABP4 P15090 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL8005080 0.83 KMT2A (0.51) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL30418900 0.83 TMEM97 (0.57) HPGDKMT2ASMN1; SMN2ALDH1A1TMEM97
Hydrochloric Acid SCHEMBL7995813 0.83 KMT2A (0.50) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8444019 0.82 CA12 (0.54) HPGDKMT2ASMN1; SMN2ALDH1A1USP2
Hydrochloric Acid SCHEMBL8004278 0.82 SMN1; SMN2 (0.47) HPGDKMT2ASMN1; SMN2ALDH1A1TMEM97
SCHEMBL8440438 0.81 TSHR (0.46) HPGDALDH1A1MAPTCYP1A2LMNA
SCHEMBL8440765 0.81 MAPK1 (0.45) HPGDKMT2ASMN1; SMN2ALDH1A1USP2
Hydrochloric Acid SCHEMBL8663971 0.81 KMT2A (0.51) HPGDKMT2ASMN1; SMN2MEN1GAA
Hydrochloric Acid SCHEMBL8442851 0.81 MAPK1 (0.41) HPGDKMT2ASMN1; SMN2ALDH1A1TMEM97
SCHEMBL8440378 0.80 ALDH1A1 (0.60) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed