SCHEMBL13355147

SCHEMBL13355147

COc1cc2c(C)ncnc2cc1OCCCN1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 5/20 0.64
EHMT1 Q9H9B1 5/20 0.64
TLR9 Q9NR96 1/20 0.62
TLR7 Q9NYK1 1/20 0.62
KIT P10721 4/20 0.61
RET P07949 3/20 0.59
ABCB11 O95342 1/20 0.59
KIF5B P33176 1/20 0.59
KDR P35968 3/20 0.59
SPIN1 Q9Y657 2/20 0.59
EGFR P00533 4/20 0.59
FGFR1 P11362 2/20 0.58
FLT1 P17948 2/20 0.58
FLT4 P35916 2/20 0.58
AXL P30530 2/20 0.58
FLT3 P36888 2/20 0.58
MERTK Q12866 2/20 0.58
PLK4 O00444 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58

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
SCHEMBL13299046 0.88 AURKA (0.67) KITRETABCB11KIF5BKDR
SCHEMBL2475406 0.88 EHMT2 (0.64) EHMT2EHMT1TLR9TLR7KIT
SCHEMBL4431962 0.87 EHMT2 (0.69) EHMT2EHMT1TLR9TLR7KIT
SCHEMBL2924110 0.87 ENPP1 (0.64) EHMT2EHMT1TLR9TLR7KIT
SCHEMBL4430442 0.87 EHMT2 (0.69) EHMT2EHMT1TLR9TLR7KIT
SCHEMBL2921178 0.87 EHMT2 (0.65) EHMT2EHMT1TLR9TLR7KIT
SCHEMBL3955512 0.86 ENPP1 (0.65) EHMT2EHMT1TLR9TLR7KIT
SCHEMBL2921945 0.86 ENPP1 (0.65) EHMT2EHMT1TLR9TLR7KIT
SCHEMBL4426202 0.86 EHMT2 (0.70) EHMT2EHMT1TLR9TLR7KIT
SCHEMBL10088086 0.85 ACHE (0.58) EHMT2KITRETKIF5BKDR

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-7709640-B2 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed