SCHEMBL8395262

SCHEMBL8395262

NC(=Nc1c(F)cccc1F)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8392326 0.81 SIGMAR1 (0.57) SIGMAR1LMNAHPGDKMT2AMEN1
SCHEMBL8392887 0.81 SIGMAR1 (0.60) SIGMAR1LMNAHPGDKMT2AMEN1
SCHEMBL11485191 0.79 SIGMAR1 (0.50) SIGMAR1LMNAKMT2AMEN1HTT
Hydrochloric Acid SCHEMBL11484958 0.77 SIGMAR1 (0.49) SIGMAR1LMNAHPGDKMT2AMEN1
SCHEMBL9537649 0.73 POLB (0.39) SIGMAR1KMT2AKDM4EMAPTPOLB
SCHEMBL8392582 0.72 HTT (0.43) SIGMAR1LMNAKMT2AMEN1HTT
SCHEMBL7509274 0.72 PLAU (0.44) POLB
SCHEMBL8518311 0.72 SIGMAR1 (0.54) SIGMAR1LMNAKMT2AMEN1HTT
SCHEMBL9537404 0.72 SIGMAR1 (0.39) SIGMAR1LMNAKMT2AMAPTGAA
SCHEMBL8392882 0.71 SIGMAR1 (0.47) SIGMAR1LMNAKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP claimed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP claimed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO claimed
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP disclosed