SCHEMBL7794682

SCHEMBL7794682

CN(C)CCCOc1ccc2c(c1)C(=O)c1cccc(OCCCN(C)C)c1-2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
CHRNA7 P36544 1/20 0.48
TOP2A P11388 2/20 0.46
PDK2 Q15119 1/20 0.45
ESR1 P03372 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL7786384 0.94 MAPT (0.52) KCNA3KMT2AMAPTCHRNA7TOP2A
SCHEMBL7792612 0.89 KCNA3 (0.51) KCNA3KMT2AMAPTCHRNA7TOP2A
SCHEMBL7795949 0.88 MAPT (0.62) KCNA3KMT2AMAPTCHRNA7ESR1
SCHEMBL8386455 0.87 MAPT (0.56) KMT2AMAPTCHRNA7ESR1SMN1; SMN2
SCHEMBL7792614 0.87 MAPT (0.51) KCNA3KMT2AMAPTCHRNA7ALDH1A1
SCHEMBL7796272 0.86 MAPT (0.60) KCNA3KMT2AMAPTCHRNA7ESR1
SCHEMBL8517442 0.85 KCNA3 (0.54) KCNA3KMT2AMAPTCHRNA7TOP2A
SCHEMBL7792268 0.85 MAPT (0.58) KCNA3KMT2AMAPTCHRNA7ESR1
SCHEMBL7786287 0.84 MAPT (0.71) KMT2AMAPTCHRNA7SMN1; SMN2
SCHEMBL11852387 0.84 MAPT (0.60) KMT2AMAPTCHRNA7KDM4EALDH1A1

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-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed