SCHEMBL8437979

SCHEMBL8437979

C=CCOc1cc2ccc(-c3ncc(O)cn3)cc2c(F)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HIF1A Q16665 1/20 0.32
ALDH2 P05091 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL8435374 0.86 HIF1A (0.35) MAPTESR1ESR2HIF1AALDH2
SCHEMBL8301789 0.79 NR5A1 (0.36) MAPTALDH2GAA
SCHEMBL8427259 0.78 MAPT (0.40) MAPTHIF1A
SCHEMBL9337494 0.70 MAPT (0.44) MAPTALDH2MAOAMAOBMGAM
SCHEMBL10382097 0.68 MAOB (0.43) MAPTESR1ESR2ALDH2MAOA
SCHEMBL8297766 0.68 RAB9A (0.41) MAPTGAA
SCHEMBL8943288 0.65 NPC1 (0.52) MAPTALDH2MAOAMAOBMGAM
SCHEMBL8437513 0.63 MAPT (0.31) MAPT
SCHEMBL13978653 0.63 GABRA1 (0.67) MAPTESR1ESR2ALDH2GAA
SCHEMBL9427345 0.63 GABRA1 (0.39) MAPTESR1ESR2ALDH2GAA

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 4 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
US-5911913-A 1-fluoroisoquinoline derivatives and the use thereof in liquid crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1999-06-15 US 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