SCHEMBL10102463

SCHEMBL10102463

Cc1cc2c(O)ncnc2cc1OCCCN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.51
KIF5B P33176 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
EHMT2 Q96KQ7 4/20 0.47
EHMT1 Q9H9B1 4/20 0.47
SRC P12931 2/20 0.47
KIT P10721 1/20 0.47
ABCB11 O95342 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2475406 0.87 EHMT2 (0.64) RETKIF5BTLR9TLR7EHMT2
SCHEMBL10102456 0.87 EGFR (0.49) RETKIF5BALDH1A1KDM4EL3MBTL1
SCHEMBL2921178 0.85 EHMT2 (0.65) RETKIF5BTLR9TLR7EHMT2
SCHEMBL11953085 0.85 EGFR (0.48) ALDH1A1KDM4EL3MBTL1TSHRHTT
SCHEMBL14444641 0.80 RET (0.53) RETKIF5BEHMT2EHMT1SRC
SCHEMBL20347544 0.80 EHMT2 (0.47) ALDH1A1KDM4EL3MBTL1TSHRHTT
SCHEMBL16707263 0.79 EHMT2 (0.56) ALDH1A1KDM4EL3MBTL1TSHRHTT
SCHEMBL16707264 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1TSHRHTT
SCHEMBL13355147 0.77 EHMT2 (0.64) RETKIF5BTLR9TLR7EHMT2
SCHEMBL11953082 0.77 SRC (0.49) RETKIF5BSRC

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-RE43098-E1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed