SCHEMBL17604537

SCHEMBL17604537

O=Cc1ccnc(-c2nc[nH]c2Cc2ccc(F)cc2OCC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 5/20 0.40
▸ KDM5A P29375 2/20 0.40
▸ PHF8 Q9UPP1 6/20 0.39
▸ KDM2B Q8NHM5 3/20 0.38
▸ BRD4 O60885 1/20 0.35
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ KMO O15229 1/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL17604578 0.86 KDM4C (0.40) KDM4CKDM5APHF8KDM2BBRD4
SCHEMBL16095598 0.85 KDM4C (0.56) KDM4CKDM5APHF8KDM2BCYP2C9
SCHEMBL17604658 0.81 KDM4C (0.43) KDM4CKDM5APHF8KDM2BBRD4
SCHEMBL17604575 0.81 PKM (0.42) KDM4CKDM5APHF8KDM2BCYP2C9
SCHEMBL16095134 0.80 KDM4C (0.60) KDM4CKDM5APHF8KDM2B
SCHEMBL17604535 0.74 KDM4C (0.46) KDM4CKDM5APHF8KDM2BBRD4
SCHEMBL17604536 0.72 PHF8 (0.39) KDM4CKDM5APHF8KDM2BPDE4D
SCHEMBL17604553 0.72 KDM4C (0.73) KDM4CKDM5APHF8KDM2BBRD4
SCHEMBL17604525 0.72 PHF8 (0.39) KDM4CKDM5APHF8KDM2BPDE4D
SCHEMBL16095351 0.70 KDM4C (0.59) KDM4CKDM5APHF8KDM2BKMO

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
EP-3193881-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO disclosed
Send feedback