SCHEMBL13325529

SCHEMBL13325529

c1ccc(-c2cc3[nH]c(-c4ccccn4)nn3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
HPGDS O60760 3/20 0.43
PKM P14618 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TGFBR1 P36897 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CBFB Q13951 2/20 0.40
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
HTT P42858 2/20 0.40
OPRK1 P41145 1/20 0.40
PAX8 Q06710 1/20 0.40
BTK Q06187 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
SCHEMBL2269185 0.84 PARP1 (0.44) NPY5RNPC1RAB9AMAPTL3MBTL1
SCHEMBL24913588 0.77 METAP2 (0.44) NPY5RNPC1RAB9ALMNAMAPT
SCHEMBL15295087 0.73 KDM4E (0.44) NPC1RAB9ALMNAMAPTL3MBTL1
SCHEMBL28980655 0.71 KDM4E (0.65) NPY5RNPC1RAB9ALMNAMAPT
SCHEMBL31276097 0.71 KDM4E (0.65) NPY5RNPC1RAB9ALMNAMAPT
SCHEMBL31712904 0.71 KDM4E (0.65) NPY5RNPC1RAB9ALMNAMAPT
SCHEMBL29709831 0.71 KDM4E (0.65) NPY5RNPC1RAB9ALMNAMAPT
SCHEMBL4579291 0.71 KDM4E (0.65) NPY5RNPC1RAB9ALMNAMAPT
SCHEMBL29360780 0.69 KDM4E (0.68) NPY5RNPC1RAB9ALMNAMAPT
SCHEMBL35754 0.69 KDM4E (0.68) NPY5RNPC1RAB9ALMNAMAPT

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
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed