SCHEMBL969342

SCHEMBL969342

[S]c1sccc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 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
P4HTM Q9NXG6 1/20 0.48
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 2/20 0.45
ATM Q13315 1/20 0.42
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL6745096 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14350245 0.77 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28588899 0.77 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6754739 0.77 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6752641 0.77 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12914273 0.74 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10160832 0.73 ADORA2A (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5534283 0.73 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL858806 0.71 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL452340 0.69 KDM4E (0.57) 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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed