SCHEMBL4274751

SCHEMBL4274751

O=C(C=CC1=C(Cc2ccccc2)c2ccccc2CC1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
APP P05067 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 5/20 0.40
GPR183 P32249 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL4273945 0.84 MITF (0.47) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL4270374 0.84 MITF (0.47) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL4423144 0.79 MAPT (0.49) MEN1KMT2AGAAPOLBHPGD
SCHEMBL4277757 0.79 HPGD (0.47) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL4270390 0.79 MEN1 (0.47) MEN1KMT2ALMNAGAAPOLB
Pyrrolidine SCHEMBL4264339 0.79 MITF (0.41) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL4273001 0.77 CYP1A2 (0.37) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL4277728 0.77 MEN1 (0.45) MEN1KMT2AGAAPOLBHPGD
SCHEMBL4271075 0.77 LMNA (0.42) MEN1KMT2ALMNAGAAHPGD
SCHEMBL4264444 0.74 ALDH1A1 (0.44) MEN1KMT2ALMNAPOLBHPGD

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
WO-2009110002-A1 NOVEL EFFLUX PUMP INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO claimed
WO-2009110002-A1 NOVEL EFFLUX PUMP INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO disclosed