SCHEMBL8440974

SCHEMBL8440974

COC(=O)c1cc(C(=O)NN2CCN(C)CC2)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
LIPE Q05469 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7995541 0.84 KMT2A (0.46) KMT2AHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL8444031 0.82 KMT2A (0.46) KMT2AMEN1HDAC8HDAC6CYP2D6
SCHEMBL8440378 0.79 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2LMNATDP1
SCHEMBL8444679 0.73 ALDH1A1 (0.54) KMT2AMEN1SMN1; SMN2LMNATDP1
Hydrochloric Acid SCHEMBL8443489 0.73 CYP2D6 (0.45) KMT2AHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL8444466 0.72 HDAC8 (0.42) KMT2AMEN1HDAC8HDAC6CYP2D6
SCHEMBL21551153 0.71 FURIN (0.47) HDAC8
SCHEMBL30931853 0.71 FURIN (0.47) HDAC8
SCHEMBL7453939 0.70 HDAC8 (0.72) KMT2AMEN1HDAC8HDAC6CYP2D6
SCHEMBL21553807 0.70 CA12 (0.63) KMT2AMEN1SMN1; SMN2LMNATDP1

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