SCHEMBL1311501

SCHEMBL1311501

CN(C)C1(N(C)C)C=CN=C(c2ccccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
NISCH Q9Y2I1 1/20 0.36
TP53 P04637 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 2/20 0.35

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
SCHEMBL435396 0.81 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL38657196 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28575256 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28452296 0.78 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27225878 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7589592 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28055751 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL811408 0.77 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1312504 0.77 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL30022974 0.76 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275780-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMCIAL COMPANY LIMITED 2011-11-10 US disclosed