SCHEMBL163098

SCHEMBL163098

O=C(Cc1cccnc1)NCC1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.68
CACNA1I Q9P0X4 1/20 0.60
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
ACHE P22303 8/20 0.53
FAAH O00519 5/20 0.53
BCHE P06276 3/20 0.53
CCR2 P41597 1/20 0.53
CXCR4 P61073 1/20 0.53
GSK3B P49841 1/20 0.52

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
SCHEMBL23013174 0.82 CACNA1I (0.69) SIGMAR1CACNA1IHDAC3HDAC4HDAC1
SCHEMBL1475020 0.76 SIGMAR1 (0.70) SIGMAR1
SCHEMBL17517685 0.76 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL82572 0.75 ACHE (0.65) SIGMAR1ACHEBCHE
SCHEMBL4783764 0.74 KCNH2 (0.47) SIGMAR1CACNA1IHDAC3HDAC4HDAC1
SCHEMBL14189662 0.74 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8395513 0.74 NPC1 (0.66) HDAC8HDAC6
SCHEMBL8396806 0.74 NPC1 (0.70)
SCHEMBL29508424 0.74 CACNA1I (0.61) SIGMAR1CACNA1IACHECXCR4GSK3B
SCHEMBL23013177 0.74 CACNA1I (0.61) SIGMAR1CACNA1IACHECXCR4GSK3B

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942392-B1 DIFFERENTIATION OF PLURIPOTENT STEM CELLS JANSSEN BIOTECH INC (US) 2018-10-03 EP claimed
EP-2942392-A1 DIFFERENTIATION OF PLURIPOTENT STEM CELLS Janssen Biotech, Inc. (US) 2015-11-11 EP claimed
EP-2310492-B1 DIFFERENTIATION OF PLURIPOTENT STEM CELLS JANSSEN BIOTECH INC (US) 2015-07-22 EP claimed
EP-2853589-A1 Differentiation of human embryonic stem cells Janssen Biotech, Inc. (US) 2015-04-01 EP claimed
EP-2611910-A2 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS Janssen Biotech, Inc. (US) 2013-07-10 EP claimed
EP-2611909-A2 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS Janssen Biotech, Inc. (US) 2013-07-10 EP claimed
WO-2012030538-A2 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS JANSSEN BIOTECH, INC. (US) 2012-03-08 WO claimed
WO-2012030539-A2 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS JANSSEN BIOTECH, INC. (US) 2012-03-08 WO claimed
US-20120052571-A1 Differentiation of Human Embryonic Stem Cells JANSSEN BIOTECH, INC. (US) 2012-03-01 US claimed
US-20120052575-A1 Differentiation of Human Embryonic Stem Cells JANSSEN BIOTECH, INC. (US) 2012-03-01 US claimed
US-10351820-B2 Methods for making definitive endoderm using at least GDF-8 JANSSEN BIOTECH, INC. (US) 2019-07-16 US disclosed
US-10351820-B2 Methods for making definitive endoderm using at least GDF-8 JANSSEN BIOTECH, INC. (US) 2019-07-16 US disclosed
US-10233421-B2 Differentiation of pluripotent stem cells JANSSEN BIOTECH, INC. (US) 2019-03-19 US disclosed
US-10233421-B2 Differentiation of pluripotent stem cells JANSSEN BIOTECH, INC. (US) 2019-03-19 US disclosed
EP-2942392-B1 DIFFERENTIATION OF PLURIPOTENT STEM CELLS JANSSEN BIOTECH INC (US) 2018-10-03 EP disclosed
US-20100015711-A1 Differentiation of Pluripotent Stem Cells JANSSEN BIOTECH, INC. 2010-01-21 US disclosed
US-20100015711-A1 Differentiation of Pluripotent Stem Cells JANSSEN BIOTECH, INC. 2010-01-21 US disclosed
US-20100015711-A1 Differentiation of Pluripotent Stem Cells JANSSEN BIOTECH, INC. 2010-01-21 US disclosed
WO-2010002846-A1 DIFFERENTIATION OF PLURIPOTENT STEM CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2010-01-07 WO disclosed
WO-2010002846-A1 DIFFERENTIATION OF PLURIPOTENT STEM CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2010-01-07 WO disclosed