SCHEMBL28612141

SCHEMBL28612141

CC(C)(C)c1cc(Cl)nc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
METAP2 P50579 1/20 0.46
KDM4E B2RXH2 5/20 0.45
LMNA P02545 3/20 0.45
METAP1 P53582 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL15764464 0.88 CCR1 (0.58) CCR1CCR5CCR8METAP2KDM4E
SCHEMBL811123 0.78 KDM4E (0.54) CCR1CCR5CCR8METAP2KDM4E
Hydrochloric Acid SCHEMBL28907429 0.76 CCR1 (0.79) CCR1CCR5CCR8METAP2KDM4E
SCHEMBL26471880 0.76 KIF11 (0.40) METAP2KDM4EHSP90AA1PSDKDM5B
SCHEMBL604517 0.75 CCR1 (0.59) CCR1CCR5CCR8METAP2KDM4E
SCHEMBL23671035 0.74 METAP2 (0.40) CCR1CCR5CCR8METAP2KDM4E
SCHEMBL2537192 0.74 CCR1 (0.50) CCR1CCR5CCR8METAP2KDM4E
SCHEMBL2369433 0.74 CCR1 (0.63) CCR1CCR5CCR8METAP2KDM4E
SCHEMBL4490247 0.74 CCR1 (0.63) CCR1CCR5CCR8METAP2KDM4E
SCHEMBL29545764 0.74 CCR1 (0.63) CCR1CCR5CCR8METAP2KDM4E

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
CN-113185556-A Organic electroluminescent material and device 环球展览公司 2021-07-30 CN disclosed