SCHEMBL7996049

SCHEMBL7996049

CCN(CC)CCNC(=O)c1cc(C(=O)N=C(N)N)cc(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SLC22A1 O15245 2/20 0.44
SLC22A2 O15244 1/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 2/20 0.43
PMP22 Q01453 1/20 0.43
KCNH2 Q12809 2/20 0.42
NFKB1 P19838 1/20 0.42
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC9A1 P19634 6/20 0.41
KMT2A Q03164 1/20 0.41
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
SCHEMBL8009318 0.90 HPGD (0.45) LMNANFKB1SMN1; SMN2SLC9A1KMT2A
Hydrochloric Acid SCHEMBL8007241 0.89 HPGD (0.45) SMN1; SMN2SLC9A1KMT2ACYP1A2HTR2B
Hydrochloric Acid SCHEMBL8007228 0.85 KMT2A (0.43) ALDH1A1POLBSMN1; SMN2SLC9A1KMT2A
SCHEMBL7996045 0.85 LMNA (0.45) LMNAALDH1A1SLC22A1SLC22A2TSHR
Hydrochloric Acid SCHEMBL7996052 0.84 LMNA (0.46) LMNAALDH1A1SLC22A1SLC22A2TSHR
SCHEMBL7995581 0.84 MCHR1 (0.46) LMNAALDH1A1SLC22A1SLC22A2TSHR
Hydrochloric Acid SCHEMBL8007340 0.80 SMN1; SMN2 (0.42) NFKB1SMN1; SMN2SLC9A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8004416 0.80 SMN1; SMN2 (0.43) LMNAALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL8664616 0.78 MAPK1 (0.47) LMNAALDH1A1TSHRMAPK1POLB
Hydrochloric Acid SCHEMBL8007354 0.75 GAA (0.50) LMNAALDH1A1TSHRMAPK1KCNH2

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-6017917-A Guanidine derivatives FUJISAWA PHARAMCEUTICAL CO., LTD. (JP) 2000-01-25 US claimed
EP-0876338-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP claimed
WO-1997025310-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-17 WO claimed