SCHEMBL1907277

SCHEMBL1907277

C=CC[n+]1ccccc1/C=C/c1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4A O75164 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
APOBEC3A P31941 1/20 0.41
GFER P55789 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 2/20 0.37
CYP2A6 P11509 1/20 0.34
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
CHAT P28329 3/20 0.33
HDAC8 Q9BY41 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
SCHEMBL1980574 1.00 RAB9A (0.46) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL7764476 0.87 NPC1 (0.47) RAB9AKMT2ANPC1MEN1ALDH1A1
Bromide SCHEMBL16497619 0.84 KMT2A (0.45) RAB9AKMT2ANPC1MEN1ALDH1A1
Bromide SCHEMBL16497620 0.84 KMT2A (0.45) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL10843581 0.82 MEN1 (0.56) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL10843575 0.82 MEN1 (0.56) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL29620208 0.81 RAB9A (0.67) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL1898847 0.81 RAB9A (0.67) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL9588524 0.81 RAB9A (0.67) RAB9AKMT2ANPC1MEN1ALDH1A1
Bromide SCHEMBL8666504 0.80 MEN1 (0.69) RAB9AKMT2ANPC1MEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318058-A2 MEDICAL IMPLANT AGT Sciences Limited (GB) 2011-05-11 EP disclosed
WO-2010007425-A2 MEDICAL IMPLANT AGT SCIENCES LTD (GB) 2010-01-21 WO disclosed