SCHEMBL5144850

SCHEMBL5144850

CCCCCCN(C(=N)N)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PAX8 Q06710 2/20 0.46
JAK2 O60674 1/20 0.46
KCNH2 Q12809 10/20 0.44
CNR2 P34972 2/20 0.43
SIGMAR1 Q99720 4/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GPX4 P36969 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3744394 0.92 SIGMAR1 (0.43) SIGMAR1ALDH1A1CYP3A4
SCHEMBL11191152 0.84 NPC1 (0.41) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL10598512 0.82 NPC1 (0.56) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL8028077 0.81 NPC1 (0.42) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL10353146 0.80 NPC1 (0.38) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL4282388 0.79 NPC1 (0.38) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL18741214 0.78 CYP3A4 (0.41) CNR2SIGMAR1TP53CYP3A4
SCHEMBL4983976 0.77 MEN1 (0.50) NPC1RAB9APAX8JAK2ALDH1A1
Hydrochloric Acid SCHEMBL8194065 0.76 GRIN2D (0.49) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL5200019 0.76 LMNA (0.40) NPC1RAB9APAX8JAK2KCNH2

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
EP-1633368-A4 FOAMABLE PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING A DISORDER STIEFEL LABORATORIES (US) 2007-03-14 EP disclosed
EP-1633368-A2 FOAMABLE PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING A DISORDER STIEFEL LABORATORIES, INC. (US) 2006-03-15 EP disclosed
WO-2004105702-A2 FOAMABLE PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING A DISORDER STIEFEL LABORATORIES, INC. (US) 2004-12-09 WO disclosed