SCHEMBL12420965

SCHEMBL12420965

O=CNc1cccc(F)c1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PABPC1 P11940 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EGFR P00533 1/20 0.32
MMP1 P03956 1/20 0.32

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
SCHEMBL2090488 0.75 TSHR (0.40) ERN1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL514306 0.74 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TSHRMEN1
SCHEMBL4552467 0.74 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL146988 0.73 CES2 (0.42) ERN1CES2CES1
SCHEMBL29823308 0.73 ERN1 (0.59) ERN1TSHRMEN1KMT2AALDH1A1
SCHEMBL18190444 0.73 ERN1 (0.59) ERN1TSHRMEN1KMT2AALDH1A1
SCHEMBL2092487 0.72 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2TSHRPABPC1
SCHEMBL3333781 0.72 TSHR (0.38) ERN1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7189586 0.69 TSHR (0.43) RAB9ANPC1SMN1; SMN2TSHRMEN1
SCHEMBL20880608 0.68 GAA (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-7998412-B2 Ophthalmic device comprising a holographic sensor SMART HOLOGRAMS LIMITED (GB) 2011-08-16 US disclosed