SCHEMBL8396200

SCHEMBL8396200

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 3/20 0.51
HTT P42858 2/20 0.51
F2R P25116 1/20 0.51
NR1I3 Q14994 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MTNR1B P49286 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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 SCHEMBL8395203 0.99 MAPK1 (0.56) MAPK1MAPTLMNAHSD17B10ALDH1A1
SCHEMBL8392021 0.86 LMNA (0.50) MAPK1MAPTLMNAHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL8397601 0.85 LMNA (0.49) MAPK1MAPTLMNAHSD17B10ALDH1A1
SCHEMBL8392121 0.84 MGLL (0.63) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL8392632 0.83 POLB (0.57) MAPTLMNAALDH1A1NPC1HTT
Oxalic Acid SCHEMBL8395194 0.82 MGLL (0.60) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL7565149 0.82 MAPK1 (0.81) MAPK1MAPTLMNAHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL8397107 0.82 POLB (0.56) MAPTLMNAALDH1A1NPC1HTT
SCHEMBL8392821 0.81 GAA (0.59) MAPTHSD17B10ALDH1A1HTTSMN1; SMN2
SCHEMBL8392115 0.81 POLB (0.55) ALDH1A1NPC1HTTF2RSMN1; SMN2

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