SCHEMBL4355540

SCHEMBL4355540

Cc1cc(CCc2ccnc(C)c2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.54
KCNQ2 O43526 1/20 0.46
NR3C2 P08235 4/20 0.41
GRM5 P41594 1/20 0.41
FFAR1 O14842 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
DYRK1A Q13627 1/20 0.39
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4358691 0.91 UHRF1 (0.50) UHRF1KCNQ2NR3C2GRM5FFAR1
SCHEMBL1563414 0.89 NR3C2 (0.49) UHRF1KCNQ2NR3C2FFAR1NOS2
SCHEMBL487318 0.89 UHRF1 (0.48) UHRF1KCNQ2NR3C2GRM5FFAR1
Bromide SCHEMBL10618379 0.88 NR3C2 (0.47) UHRF1KCNQ2NR3C2FFAR1NOS2
Bromide SCHEMBL11513156 0.88 NR3C2 (0.47) UHRF1KCNQ2NR3C2FFAR1NOS2
SCHEMBL2023682 0.87 UHRF1 (0.46) UHRF1KCNQ2NR3C2GRM5FFAR1
SCHEMBL3915085 0.87 LOXL2 (0.50) UHRF1KCNQ2LOXLOXL2
SCHEMBL20901334 0.87 UHRF1 (0.46) UHRF1KCNQ2NR3C2GRM5FFAR1
SCHEMBL30324476 0.87 UHRF1 (0.46) UHRF1KCNQ2NR3C2GRM5FFAR1
SCHEMBL12209769 0.86 NR3C2 (0.56) UHRF1KCNQ2NR3C2

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-RE40964-E1 Negative type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-10 US disclosed
US-6329119-B1 ALKALI SOLUBLE RESIN, ACID GENERATOR, CROSSLINKING AGENT, AND A BASIC COMPOUND THAT IS EITHER A DIPYRIDYL COMPOUND OR A BISAMINOBENZENE COMPOUND; EXCELLENT PATTERN PROFILE, SMALL TEMPERATURE DEPENDENCY OF THE PATTERN DIMENSIONS, SENSITIVITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-11 US disclosed