SCHEMBL7913294

SCHEMBL7913294

Cc1nc2c(cc1C(=O)NC(=N)N)CCCC/C2=C\c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CYP19A1 P11511 12/20 0.40
CYP11B1 P15538 7/20 0.40
CYP11B2 P19099 7/20 0.40
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MIF P14174 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC1 Q13547 2/20 0.36

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
SCHEMBL7910318 0.89 MAPT (0.43) MAPTHTTSMN1; SMN2RAB9AATM
SCHEMBL7902756 0.80 CYP19A1 (0.47) MAPTHTTSMN1; SMN2RAB9AATM
SCHEMBL7902758 0.80 CYP19A1 (0.47) MAPTHTTSMN1; SMN2RAB9AATM
SCHEMBL7902752 0.80 CYP19A1 (0.47) MAPTHTTSMN1; SMN2RAB9AATM
SCHEMBL7913231 0.75 SLC9A1 (0.41) MAPTHTTSMN1; SMN2RAB9AATM
SCHEMBL7903042 0.73 SLC9A1 (0.39) MAPTHTTSMN1; SMN2RAB9AATM
SCHEMBL7916790 0.72 CHRNB2 (0.35) LMNAALDH1A1
SCHEMBL7912931 0.72 SLC9A1 (0.59) MAPTHTTSMN1; SMN2RAB9AATM
SCHEMBL7912979 0.71 EEF2K (0.39) HTTRAB9ACYP11B1CYP11B2LMNA
SCHEMBL927184 0.71 SLC9A1 (0.61) MAPTHTTSMN1; SMN2RAB9AATM

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