SCHEMBL9229844

SCHEMBL9229844

CCCCCc1cnc(-c2ccc(OC(F)=C(F)F)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.56
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
MAPT P10636 7/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NPC1 O15118 6/20 0.46
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL9229100 0.99 RARB (0.59) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9227800 0.99 RARB (0.59) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9227443 0.96 RARB (0.51) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9220694 0.91 MAPT (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9223992 0.85 TP53 (0.43) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10359510 0.82 RAB9A (0.67) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9817493 0.82 MAPT (0.69) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9817550 0.81 RARB (0.70) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9817633 0.81 RARB (0.70) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9817449 0.81 RARB (0.70) RARBRAB9ASMN1; SMN2MAPTKDM4E

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
US-5403512-A Fluorovinyloxybenzenes having low viscosity, stability, high; dielectric anisotropy and good low temperature behavior; displays; twisted cells MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-04-04 US disclosed