SCHEMBL7913003

SCHEMBL7913003

N=C(N)NC(=O)c1cc2c(nc1CF)CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 8/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
ALDH1A1 P00352 7/20 0.37
POLB P06746 5/20 0.37
EEF2K O00418 1/20 0.37
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
TP53 P04637 2/20 0.34
SORT1 Q99523 2/20 0.33
MAPT P10636 6/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL926631 0.89 SLC9A1 (0.43) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7913104 0.88 KDM4E (0.45) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7912966 0.85 KDM4E (0.43) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7911317 0.85 SLC9A1 (0.43) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL927564 0.82 KDM4E (0.38) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7916794 0.81 SLC9A1 (0.61) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL927183 0.81 SLC9A1 (0.45) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL927184 0.81 SLC9A1 (0.61) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7916809 0.81 SLC9A1 (0.45) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7902925 0.81 SLC9A1 (0.45) SLC9A1KDM4ESMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed