SCHEMBL7098095

SCHEMBL7098095

[C-]#[N+]C(COC1CCCCO1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.34
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
DHFR P00374 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A3 Q01959 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TACR1 P25103 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL10433383 1.00 KDM4C (0.39) KDM4CMEN1KMT2AALDH1A1EP300
SCHEMBL17846160 0.81 MEN1 (0.41) KDM4CMEN1KMT2AALDH1A1EP300
SCHEMBL7097200 0.81 EPHX1 (0.43) KDM4CMEN1KMT2ADHFRTACR1
SCHEMBL10433401 0.78 KDM4C (0.39) KDM4CMEN1KMT2AEP300CREBBP
SCHEMBL7330307 0.78 MEN1 (0.39) KDM4CMEN1KMT2AALDH1A1EP300
SCHEMBL30781642 0.76 KDM4C (0.42) KDM4CMEN1KMT2AEP300CREBBP
SCHEMBL4184332 0.75 KDM4C (0.47) KDM4CMEN1KMT2AEP300CREBBP
SCHEMBL10433363 0.75 EPHX1 (0.51) KDM4CMEN1KMT2AEP300CREBBP
SCHEMBL7320247 0.74 KDM4C (0.36) KDM4CMEN1KMT2AALDH1A1EP300
SCHEMBL11258174 0.74 KDM4C (0.46) KDM4CMEN1KMT2AALDH1A1EP300

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-1140952-B1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION BIOAGENCY AG (DE) 2003-09-03 EP disclosed