SCHEMBL19263274

SCHEMBL19263274

O=C(OCc1cc(-c2ccc(Br)cc2)no1)C1=CC=CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 8/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 4/20 0.40
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 6/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
NOTUM Q6P988 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL19263008 0.91 MAPT (0.45) MAPTSMN1; SMN2CYP1A2POLBTP53
SCHEMBL19263012 0.90 MAPT (0.44) MAPTSMN1; SMN2CYP1A2POLBL3MBTL1
SCHEMBL19263270 0.90 NPC1 (0.46) MAPTSMN1; SMN2CYP1A2POLBL3MBTL1
SCHEMBL19263284 0.90 POLB (0.53) MAPTSMN1; SMN2CYP1A2POLBL3MBTL1
SCHEMBL19263307 0.90 MAPT (0.56) MAPTSMN1; SMN2POLBL3MBTL1RAB9A
SCHEMBL19263005 0.88 MAPT (0.43) MAPTSMN1; SMN2CYP1A2POLBL3MBTL1
SCHEMBL19263276 0.88 MAPT (0.45) MAPTSMN1; SMN2CYP1A2POLBL3MBTL1
SCHEMBL19263251 0.87 PPARD (0.45) MAPTSMN1; SMN2CYP1A2POLBL3MBTL1
SCHEMBL19263240 0.86 MAPT (0.41) MAPTSMN1; SMN2CYP1A2POLBL3MBTL1
SCHEMBL19263234 0.84 MAPT (0.43) MAPTSMN1; SMN2POLBL3MBTL1RAB9A

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-9738673-B1 Ferrocene derivative, preparation method and use thereof XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2017-08-22 US disclosed