SCHEMBL11079679

SCHEMBL11079679

NCCC1(O)CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR2A P28223 2/20 0.40
SIGMAR1 Q99720 6/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
MTOR P42345 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 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
SCHEMBL1333907 0.90 KDM1A (0.47) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL19130231 0.79 KDM1A (0.47) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL7960703 0.79 KDM1A (0.44) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL6691850 0.79 KDM1A (0.47) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL9499577 0.79 KDM1A (0.46) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL4420303 0.77 SIGMAR1 (0.49) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL15891588 0.75 CASP6 (0.45) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL18428569 0.75 KDM1A (0.50) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL8255088 0.75 LMNA (0.58) KDM1AHTR2ASIGMAR1CYP2D6HTR2C
SCHEMBL9501252 0.75 KDM1A (0.41) KDM1AMEN1KMT2ACYP1A2CYP2C19

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
US-4473586-A Aminoalkyl dihydronaphthalenes ABBOTT LABORATORIES (US) 1984-09-25 US disclosed