SCHEMBL11526544

SCHEMBL11526544

CCCCC(C(=O)OCC)C(=O)c1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LONP1 P36776 2/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL11529156 0.92 RAB9A (0.45) KDM4ELONP1RAB9ANPC1SMN1; SMN2
SCHEMBL11529880 0.86 NPC1 (0.47) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11530756 0.85 NPC1 (0.43) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11529222 0.82 NPC1 (0.44) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL24998246 0.80 KDM4E (0.52) KDM4ELONP1RAB9ANPC1SMN1; SMN2
SCHEMBL11529446 0.80 NPC1 (0.49) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11529414 0.79 SMN1; SMN2 (0.48) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3400596 0.77 NPC1 (0.47) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11527512 0.77 RAB9A (0.50) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL20909550 0.77 KDM4E (0.50) KDM4ELONP1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4144339-A TREATMENT OF BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1979-03-13 US disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 US disclosed