SCHEMBL6725203

SCHEMBL6725203

CN(C)c1cc[c]c(-c2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
LMNA P02545 4/20 0.41
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
KCNH2 Q12809 4/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL5760990 0.78 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16026593 0.76 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8969966 0.75 CCR1 (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1780817 0.75 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14783067 0.75 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6726681 0.74 RAB9A (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9598825 0.74 METAP2 (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7966923 0.74 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30636788 0.74 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10888147 0.74 PSMB5 (0.38) KDM4ELMNAHIF1ACYP1A2BLM

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-6677350-B1 ADMINISTERING CHALCONE-LIKE VINYLCARBONYL COMPOUNDS TO PREVENT OR TREAT MYCOBACTERIUM INFECTIONS/TUBERCULOSIS ADVANCED LIFE SCIENCES, INC. 2004-01-13 US disclosed