SCHEMBL1741940

SCHEMBL1741940

CCCCCCCC(O)Cc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
FAAH O00519 3/20 0.47
CSNK1E P49674 1/20 0.46
FDPS P14324 1/20 0.45
TRPV1 Q8NER1 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HRH1 P35367 2/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL1740800 0.98 TDP1 (0.55) TDP1L3MBTL1FAAHCSNK1EFDPS
SCHEMBL21871095 0.84 TDP1 (0.60) TDP1L3MBTL1FAAHFDPSTRPV1
SCHEMBL29058185 0.84 TDP1 (0.60) TDP1L3MBTL1FAAHFDPSTRPV1
SCHEMBL24826302 0.84 TDP1 (0.60) TDP1L3MBTL1FAAHFDPSTRPV1
SCHEMBL22857480 0.83 TDP1 (0.58) TDP1L3MBTL1FAAHFDPSTRPV1
SCHEMBL19334178 0.83 TDP1 (0.58) TDP1L3MBTL1FAAHFDPSTRPV1
SCHEMBL21871113 0.82 TDP1 (0.57) TDP1L3MBTL1FAAHFDPSTRPV1
SCHEMBL23844525 0.82 TDP1 (0.57) TDP1L3MBTL1FAAHFDPSTRPV1
SCHEMBL18896391 0.81 TDP1 (0.60) TDP1L3MBTL1FAAHFDPSTRPV1
SCHEMBL10497065 0.80 CSNK1E (0.66) CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389436-A2 STEM CELL CULTURE METHODS ITI Scotland Limited (GB) 2011-11-30 EP disclosed
US-20110257911-A1 SYSTEMS AND METHODS FOR DETECTING CHANGES IN ENERGY USAGE IN A BUILDING JOHNSON CONTROLS TECHNOLOGY COMPANY 2011-10-20 US disclosed