SCHEMBL19263284

SCHEMBL19263284

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
NOTUM Q6P988 2/20 0.49
SMN1; SMN2 Q16637 9/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 5/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
JAK2 O60674 1/20 0.46
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL19263274 0.90 MAPT (0.45) POLBMAPTL3MBTL1NOTUMSMN1; SMN2
SCHEMBL19263008 0.90 MAPT (0.45) POLBMAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL19263270 0.89 NPC1 (0.46) POLBMAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL19263012 0.89 MAPT (0.44) POLBMAPTL3MBTL1NOTUMSMN1; SMN2
SCHEMBL19263307 0.89 MAPT (0.56) POLBMAPTL3MBTL1NOTUMSMN1; SMN2
SCHEMBL19263005 0.87 MAPT (0.43) POLBMAPTL3MBTL1NOTUMSMN1; SMN2
SCHEMBL19263251 0.86 PPARD (0.45) POLBMAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL19263277 0.86 MRGPRX4 (0.42) POLBMAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL19263240 0.85 MAPT (0.41) POLBMAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL19263276 0.83 MAPT (0.45) POLBMAPTL3MBTL1NOTUMSMN1; SMN2

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