SCHEMBL7996045

SCHEMBL7996045

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SLC22A1 O15245 2/20 0.45
SLC22A2 O15244 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 2/20 0.44
PMP22 Q01453 1/20 0.44
KCNH2 Q12809 2/20 0.42
NFKB1 P19838 1/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 2/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40

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
Hydrochloric Acid SCHEMBL7996052 0.99 LMNA (0.46) LMNAALDH1A1SLC22A1SLC22A2TSHR
SCHEMBL8009311 0.90 KMT2A (0.46) LMNAALDH1A1MAPK1NFKB1SMN1; SMN2
Hydrochloric Acid SCHEMBL8007237 0.89 KMT2A (0.45) LMNAALDH1A1MAPK1NFKB1SMN1; SMN2
SCHEMBL7996049 0.85 LMNA (0.44) LMNAALDH1A1SLC22A1SLC22A2TSHR
Hydrochloric Acid SCHEMBL8007226 0.85 KMT2A (0.43) ALDH1A1POLBSMN1; SMN2KMT2AKDM4E
SCHEMBL7995581 0.85 MCHR1 (0.46) LMNAALDH1A1SLC22A1SLC22A2TSHR
Hydrochloric Acid SCHEMBL8004411 0.80 SMN1; SMN2 (0.44) LMNAALDH1A1MAPK1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL8007336 0.80 SMN1; SMN2 (0.42) LMNAALDH1A1MAPK1NFKB1SMN1; SMN2
SCHEMBL8664616 0.79 MAPK1 (0.47) LMNAALDH1A1TSHRMAPK1POLB
Hydrochloric Acid SCHEMBL8014487 0.77 MRGPRX4 (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4ECYP1A2

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