SCHEMBL4900404

SCHEMBL4900404

C(=NCCN(CCN=Cc1cccnc1)CCN=Cc1cccnc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
G6PC1 P35575 1/20 0.49
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 3/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL4253299 0.87 ALDH1A1 (0.67) ALDH1A1G6PC1MAPTPOLBMAPK1
SCHEMBL4253302 0.87 ALDH1A1 (0.67) ALDH1A1G6PC1MAPTPOLBMAPK1
SCHEMBL9058911 0.87 ALDH1A1 (0.53) ALDH1A1G6PC1MAPTPOLBMAPK1
SCHEMBL4253696 0.82 ALDH1A1 (0.60) ALDH1A1G6PC1MAPTPOLBMAPK1
SCHEMBL4253702 0.82 ALDH1A1 (0.60) ALDH1A1G6PC1MAPTPOLBMAPK1
SCHEMBL7664429 0.81 ALDH1A1 (0.58) ALDH1A1G6PC1MAPTPOLBMAPK1
SCHEMBL7664431 0.81 ALDH1A1 (0.58) ALDH1A1G6PC1MAPTPOLBMAPK1
SCHEMBL4898377 0.78 CA2 (0.46) ALDH1A1G6PC1MAPTPOLBSMN1; SMN2
SCHEMBL7119990 0.78 ALDH1A1 (0.55) ALDH1A1G6PC1MAPTLMNAHPGD
SCHEMBL7119993 0.78 ALDH1A1 (0.55) ALDH1A1G6PC1MAPTLMNAHPGD

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-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed