SCHEMBL4282144

SCHEMBL4282144

B(c1ccccn1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
LMNA P02545 4/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
P4HTM Q9NXG6 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
TDP1 Q9NUW8 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NOS3 P29474 1/20 0.43

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
SCHEMBL742908 0.78
SCHEMBL27722253 0.78
SCHEMBL11920602 0.78
SCHEMBL3297332 0.72
SCHEMBL31016506 0.71 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4125 0.67
Dipyridyl SCHEMBL29351528 0.65 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.65 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.65 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.65 KDM4E (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079161-A1 POLYIMIDE PRECURSOR COMPOSITION, USE THEREOF AND POLYIMIDE MADE THEREFROM ETERNAL MATERIALS CO., LTD. (TW) 2021-03-18 US disclosed
WO-2009150173-A1 USE OF DISSOLVED IRON NANOPARTICLES AS CATALYST IN ADDITION REACTIONS DSM IP ASSETS B.V. (NL) 2009-12-17 WO disclosed