SCHEMBL14560419

SCHEMBL14560419

O=Cc1[nH]c2ccccc2c1CCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
POLB P06746 1/20 0.62
ALDH1A1 P00352 8/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
EGFR P00533 3/20 0.43
HPGD P15428 4/20 0.42
MAPT P10636 2/20 0.42
HKDC1 Q2TB90 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
HSD17B10 Q99714 3/20 0.41
FOLH1 Q04609 1/20 0.40
SRC P12931 2/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL28165402 0.84 NPSR1 (0.45) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL29836517 0.83 KDM4E (0.56) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL28946929 0.82 KDM4E (0.57) KDM4EPOLBALDH1A1TSHRHPGD
SCHEMBL29836560 0.82 KDM4E (0.57) KDM4EPOLBALDH1A1TSHRHPGD
SCHEMBL28204517 0.81 MAPT (0.41) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL28804680 0.81 RAB9A (0.54) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL6404659 0.81 HTR6 (0.56) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL14560402 0.80 KDM4E (0.64) KDM4EALDH1A1EGFRMAPTHKDC1
SCHEMBL14560404 0.80 EGFR (0.62) KDM4EALDH1A1EGFRMAPTHKDC1
Hydrochloric Acid SCHEMBL28115890 0.79 HTR6 (0.48) KDM4EPOLBALDH1A1TSHRHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 US disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 US disclosed