SCHEMBL8396206

SCHEMBL8396206

CCOC(=O)Nc1cccc(N=C(N)N2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2R P25116 1/20 0.44
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
FURIN P09958 1/20 0.43
NR1I3 Q14994 2/20 0.42
MTNR1B P49286 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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 SCHEMBL8395209 0.99 MAPT (0.48) MAPTMAPK1LMNAHSD17B10ALDH1A1
SCHEMBL8392024 0.88 SMN1; SMN2 (0.47) MAPTMAPK1LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL8397603 0.87 SMN1; SMN2 (0.46) MAPTMAPK1LMNAALDH1A1NPC1
SCHEMBL8392127 0.86 MGLL (0.54) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL8392641 0.85 RAB9A (0.48) MAPTLMNAALDH1A1NPC1HTT
Hydrochloric Acid SCHEMBL8397108 0.84 RAB9A (0.47) MAPTLMNAALDH1A1NPC1HTT
SCHEMBL8392827 0.83 MAPT (0.60) MAPTHSD17B10ALDH1A1HTTSMN1; SMN2
SCHEMBL8392120 0.83 SMN1; SMN2 (0.46) MAPTALDH1A1NPC1SMN1; SMN2F2R
Hydrochloric Acid SCHEMBL8396117 0.82 MAPT (0.58) MAPTHSD17B10ALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8393849 0.82 SMN1; SMN2 (0.45) MAPTALDH1A1NPC1SMN1; SMN2F2R

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
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US 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