SCHEMBL4039571

SCHEMBL4039571

CN(Cc1ccccc1)C(=O)CN1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.64
POLB P06746 2/20 0.64
MEN1 O00255 1/20 0.64
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
TSPO P30536 2/20 0.55
SIGMAR1 Q99720 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46

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
SCHEMBL12680198 0.85 ALDH1A1 (0.71) KMT2AALDH1A1POLBMEN1NPC1
SCHEMBL15625022 0.81 KMT2A (0.62) KMT2AALDH1A1POLBMEN1NPC1
SCHEMBL209154 0.79 DRD4 (0.61) KMT2AALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL8393982 0.79 EGFR (0.48) KMT2AALDH1A1POLBMEN1SIGMAR1
SCHEMBL9989670 0.75 KDM4E (0.61) KMT2AALDH1A1POLBMEN1NPC1
SCHEMBL665674 0.75 SIGMAR1 (0.61) KMT2AALDH1A1POLBMEN1SIGMAR1
SCHEMBL4558670 0.74 ALDH1A1 (0.50) KMT2AALDH1A1POLBMEN1SIGMAR1
SCHEMBL4559554 0.74 DRD4 (0.43) KMT2AALDH1A1SIGMAR1
SCHEMBL7676221 0.74 SIGMAR1 (0.56) KMT2AALDH1A1SIGMAR1GRIN1GRIN2B
SCHEMBL17779041 0.73 KMT2A (0.53) KMT2AALDH1A1POLBMEN1NPC1

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
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed