SCHEMBL13617896

SCHEMBL13617896

C[C@H](N)[C@H](O)c1ccc2c(c1)CCOC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
RECQL P46063 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
HIF1A Q16665 3/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB1 P08588 1/20 0.41
MIF P14174 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL17227494 0.91 KDM4E (0.44) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL3430968 0.80 KCNH2 (0.35) LMNAMAPTHIF1AALOX15TSHR
SCHEMBL837030 0.77 KDM4E (0.47) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL851228 0.77 KDM4E (0.47) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL10297470 0.75 KDM4E (0.45) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL28841938 0.74 HTR2C (0.34) TSHRMTORKMT2AKCNH2P2RX3
SCHEMBL13711517 0.74 KCNH2 (0.40) LMNAMAPTHIF1AALOX15TSHR
Hydrochloric Acid SCHEMBL3275614 0.74 KDM4E (0.46) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL12844790 0.73 ADRA2A (0.34) KCNH2ADRA2AADRA2CP2RX3
SCHEMBL24253497 0.70 GABRA1 (0.39) TSHRALDH1A1P2RX3

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
WO-2009142571-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 WO disclosed