SCHEMBL4629983

SCHEMBL4629983

C=C(CCCCCCCCCCCCCCCCCCCCCC)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
LMNA P02545 5/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B3 P37058 5/20 0.40
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4631326 1.00 NAAA (0.50) NAAALMNANPC1SMN1; SMN2NFKB1
Bromide SCHEMBL11348026 0.98 NAAA (0.49) NAAALMNANPC1SMN1; SMN2NFKB1
Bromide SCHEMBL28663673 0.98 NAAA (0.49) NAAALMNANPC1SMN1; SMN2NFKB1
SCHEMBL7560833 0.92 HDAC3 (0.45) NAAALMNANPC1SMN1; SMN2NFKB1
Bromide SCHEMBL11344288 0.91 HDAC3 (0.44) NAAALMNANPC1SMN1; SMN2NFKB1
SCHEMBL11412668 0.81 CES2 (0.58) NAAALMNAMAPTCES2CES1
SCHEMBL164610 0.81 CES2 (0.58) NAAALMNAMAPTCES2CES1
SCHEMBL3803931 0.81 CES2 (0.58) NAAALMNAMAPTCES2CES1
SCHEMBL10625164 0.81 CES2 (0.58) NAAALMNAMAPTCES2CES1
SCHEMBL7796974 0.81 CES2 (0.58) NAAALMNAMAPTCES2CES1

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
EP-1636309-B1 COMPOSITIONS AND METHOD FOR IMPROVING THE PROCESSING OF POLYMER COMPOSITES 3M INNOVATIVE PROPERTIES CO (US) 2008-05-14 EP claimed