SCHEMBL4562175

SCHEMBL4562175

N#CC(=Cc1ccccc1)c1ccccc1.[Fe]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
ALDH1A1 P00352 6/20 0.67
RAB9A P51151 6/20 0.67
MAPK1 P28482 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
NPC1 O15118 5/20 0.61
ESR1 P03372 2/20 0.60
ESR2 Q92731 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 2/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 4/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NQO2 P16083 2/20 0.50

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
SCHEMBL347800 0.98 RAB9A (0.69) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL247444 0.98 RAB9A (0.69) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL247445 0.98 RAB9A (0.69) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL11834251 0.94 ESR1 (0.68) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL11822838 0.94 ALDH1A1 (0.74) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL11822854 0.94 ALDH1A1 (0.74) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL9803920 0.94 ESR1 (0.68) MAPTALDH1A1RAB9AMAPK1L3MBTL1
Furan SCHEMBL4265167 0.87 ALDH1A1 (0.58) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL6797061 0.86 ESR1 (0.82) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL8088202 0.86 ESR1 (0.82) MAPTALDH1A1RAB9AMAPK1L3MBTL1

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
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed