SCHEMBL8301789

SCHEMBL8301789

CCCCCCCCOc1cc2ccc(-c3ncc(O)cn3)cc2c(F)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RARB P10826 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SOAT1 P35610 1/20 0.34
ALDH2 P05091 1/20 0.33
PTPN11 Q06124 1/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL8297766 0.90 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8299691 0.87 RAB9A (0.44) NR5A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL8437979 0.79 MAPT (0.38) MAPTGAAALDH2
SCHEMBL8298955 0.79 NR5A1 (0.35) NR5A1MAPTALDH1A1SOAT1PTPN11
SCHEMBL8298620 0.79 KDM4E (0.47) NR5A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL7837947 0.77 NR5A1 (0.53) NR5A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL7842632 0.77 NR5A1 (0.53) NR5A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL6950774 0.75 NR5A1 (0.45) NR5A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL6956433 0.75 NR5A1 (0.45) NR5A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL7841786 0.72 RARB (0.47) NR5A1RAB9ANPC1SMN1; SMN2HSD17B10

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