SCHEMBL6743168

SCHEMBL6743168

Fc1ccc(-c2cc(COc3cc[c]cc3)on2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.71
NPC1 O15118 6/20 0.71
L3MBTL1 Q9Y468 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
TDP1 Q9NUW8 3/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.48
CXCR1 P25024 1/20 0.47
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HPGD P15428 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL6741453 0.86 RAB9A (0.81) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL18031153 0.85 RAB9A (0.78) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL22527378 0.79 RAB9A (0.67) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL22527377 0.78 RAB9A (0.66) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL22527380 0.77 RAB9A (0.65) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL13844529 0.77 RAB9A (0.61) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL22527379 0.76 RAB9A (0.63) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL22499759 0.76 RAB9A (0.63) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL22499758 0.76 RAB9A (0.63) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL9382780 0.75 RAB9A (0.94) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1

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-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed