SCHEMBL20765643

SCHEMBL20765643

O=C(c1ccc2nc[nH]c2c1)N1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
DRD3 P35462 7/20 0.60
DRD2 P14416 6/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL20765703 0.84 DRD3 (0.71) KCNA5MEN1KMT2ADRD3DRD2
SCHEMBL20765543 0.79 SMN1; SMN2 (0.79) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL12431599 0.78 SMN1; SMN2 (0.70) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL20765557 0.78 L3MBTL1 (0.58) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL12431600 0.77 ALDH1A1 (0.71) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL20765535 0.77 KDM4E (0.57) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL11071009 0.76 DRD3 (0.66) KCNA5MEN1KMT2ADRD3DRD2
SCHEMBL16598822 0.76 KDM4E (0.59) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL20765504 0.76 ALDH1A1 (0.64) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5805385 0.76 ALDH1A1 (0.70) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2

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-2019038683-A1 COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) 2019-02-28 WO claimed