SCHEMBL8096488

SCHEMBL8096488

[c]1ccnc(-c2ncccn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
LMNA P02545 3/20 0.36
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
TP53 P04637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL1450328 0.84 KDM4E (0.36) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1450322 0.76 KDM4E (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL231750 0.71 ASIC3 (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4904143 0.71 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL315937 0.71 L3MBTL1 (0.43) KDM4ELMNATP53L3MBTL1HTT
SCHEMBL8100032 0.70 NISCH (0.37) KDM4ECYP1A2HTTHSP90AA1ALDH1A1
SCHEMBL606773 0.70 LMNA (0.42) KDM4ELMNACYP1A2TP53L3MBTL1
SCHEMBL8043794 0.69 MKNK1 (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5534502 0.67 KMT2A (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4599566 0.67 RAB9A (0.40) KDM4ELMNAPOLBTP53L3MBTL1

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-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed