SCHEMBL8298620

SCHEMBL8298620

CCCCCCCCOc1ccc(-c2ccc3cc(OCCCCCCCC)nc(F)c3c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR1B P28222 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2D6 P10635 5/20 0.37
CYP19A1 P11511 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 3/20 0.37

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
SCHEMBL8299691 0.88 RAB9A (0.44) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8297766 0.86 RAB9A (0.41) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8297858 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8301789 0.79 NR5A1 (0.36) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL9814407 0.77 L3MBTL1 (0.63) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9618529 0.76 KDM4E (0.74) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9074735 0.76 KDM4E (0.74) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9450010 0.76 KDM4E (0.74) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9181458 0.75 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL13402231 0.73 KDM4E (0.69) KDM4EALDH1A1HPGDL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825987-B1 1-FLUORISOQUINOLINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 1999-12-01 EP disclosed
EP-0825987-A1 1-FLUORISOQUINOLINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-04 EP disclosed
WO-1996035674-A1 1-FLUORISOQUINOLINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-14 WO disclosed