SCHEMBL4317620

SCHEMBL4317620

COc1nc(N)nc(Nc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 6/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
BCL6 P41182 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 2/20 0.48
JAK2 O60674 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL14354708 0.88 ALDH1A1 (0.59) ALDH1A1MAPTRAB9AHTTKMT2A
SCHEMBL29900287 0.82 NPC1 (0.68) ALDH1A1MAPTRAB9ANPC1HTT
SCHEMBL2253957 0.82 GAA (0.69) ALDH1A1MAPTRAB9ANPC1HTT
SCHEMBL183118 0.82 NPC1 (0.68) ALDH1A1MAPTRAB9ANPC1HTT
SCHEMBL8330270 0.80 MAPT (0.68) ALDH1A1MAPTRAB9ANPC1HTT
Hydrochloric Acid SCHEMBL9457998 0.80 NPC1 (0.66) ALDH1A1MAPTRAB9ANPC1HTT
Arsenic SCHEMBL28153612 0.80 NPC1 (0.66) ALDH1A1MAPTRAB9ANPC1HTT
SCHEMBL29079539 0.78 MAPT (0.64) ALDH1A1MAPTRAB9ANPC1HTT
SCHEMBL796156 0.77 BCL6 (0.61) ALDH1A1MAPTRAB9ANPC1HTT
SCHEMBL14869446 0.77 GAA (0.74) ALDH1A1MAPTRAB9ANPC1HTT

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
US-8857969-B2 Ink composition, ink set, and image forming method FUJIFILM CORPORATION (JP) 2014-10-14 US disclosed
US-20130050364-A1 INK COMPOSITION, INK SET, AND IMAGE FORMING METHOD FUJIFILM CORPORATION 2013-02-28 US disclosed
US-20090239981-A1 WATER-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed