SCHEMBL4363828

SCHEMBL4363828

O=C(NCCc1ccco1)c1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 6/20 0.56
L3MBTL1 Q9Y468 4/20 0.53
TDP1 Q9NUW8 2/20 0.50
PSMD14 O00487 1/20 0.50
STAMBP O95630 1/20 0.50
COPS5 Q92905 1/20 0.50
PKM P14618 1/20 0.49
MLYCD O95822 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL18905578 0.86 RAB9A (0.64) RAB9ANPC1L3MBTL1TDP1PSMD14
SCHEMBL1901528 0.85 TDP1 (0.68) RAB9ANPC1TDP1PKMMLYCD
SCHEMBL18905575 0.82 TDP1 (0.74) RAB9ANPC1L3MBTL1TDP1PKM
SCHEMBL18905577 0.80 RAB9A (0.64) RAB9ANPC1L3MBTL1TDP1PKM
SCHEMBL31344217 0.80 RAB9A (0.64) RAB9ANPC1L3MBTL1TDP1MLYCD
SCHEMBL18905580 0.76 RAB9A (0.76) RAB9ANPC1L3MBTL1TDP1PSMD14
SCHEMBL11895627 0.76 RAB9A (0.58) RAB9ANPC1L3MBTL1TDP1PKM
SCHEMBL2118595 0.75 HDAC2 (0.69) RAB9ANPC1MLYCDSMN1; SMN2ALDH1A1
SCHEMBL1867782 0.74 RAB9A (0.60) RAB9ANPC1L3MBTL1TDP1PKM
SCHEMBL3982160 0.73 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed