SCHEMBL20922980

SCHEMBL20922980

Fc1cc(Br)c(OCc2ccccc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM1A O60341 3/20 0.45
NPC1 O15118 3/20 0.43
MRGPRX4 Q96LA9 4/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MAPK14 Q16539 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAOB P27338 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL5267929 0.94 MRGPRX4 (0.46) RAB9ASMN1; SMN2KDM1ANPC1MRGPRX4
SCHEMBL16636496 0.87 RAB9A (0.50) RAB9ASMN1; SMN2KDM1ANPC1MRGPRX4
SCHEMBL31166845 0.85 RAB9A (0.49) RAB9ASMN1; SMN2KDM1ANPC1MRGPRX4
SCHEMBL18556063 0.81 RAB9A (0.46) RAB9ASMN1; SMN2KDM1ANPC1MRGPRX4
SCHEMBL19679217 0.81 PTGER1 (0.55) RAB9ASMN1; SMN2NPC1MRGPRX4NFKB1
SCHEMBL31611455 0.80 RAB9A (0.48) RAB9ASMN1; SMN2KDM1ANPC1MRGPRX4
SCHEMBL20639243 0.79 MRGPRX4 (0.45) RAB9ASMN1; SMN2KDM1ANPC1MRGPRX4
SCHEMBL416139 0.79 KDM1A (0.48) RAB9ASMN1; SMN2KDM1ANPC1MRGPRX4
SCHEMBL2171253 0.78 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1MRGPRX4NFKB1
SCHEMBL27262835 0.77 PTPN1 (0.47) RAB9ASMN1; SMN2KDM1ANPC1MAOB

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
EP-3020700-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-04-24 EP disclosed