SCHEMBL19456255

SCHEMBL19456255

CCCOC(CC)CCCN

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.41
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
TLR2 O60603 4/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9137286 0.86 DNM1 (0.60) DNM1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL30340413 0.85 CYP3A4 (0.52) DNM1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL27733389 0.84 DNM1 (0.40) DNM1CYP3A4ALDH1A1TSHRTDP1
SCHEMBL4117174 0.83 DNM1 (0.52) DNM1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL24709143 0.83 DNM1 (0.45) DNM1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL11721798 0.82 CYP1A2 (0.38) DNM1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL23270387 0.82 DNM1 (0.55) DNM1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL27887388 0.81 DNM1 (0.48) DNM1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL16339184 0.80 DNM1 (0.47) DNM1TSHR
SCHEMBL4640889 0.80 DNM1 (0.42) DNM1CYP3A4MEN1KMT2ATLR2

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-3440075-B1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-01-29 EP disclosed
WO-2017174620-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-12 WO disclosed