SCHEMBL18532431

SCHEMBL18532431

COC(CN)COc1nsnc1N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2D6 P10635 1/20 0.56
ADRB3 P13945 1/20 0.56
NFKB1 P19838 1/20 0.56
DRD1 P21728 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
ALDH1A1 P00352 5/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 3/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL19442100 0.82 CYP1A2 (0.74) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL18656471 0.82 CYP1A2 (0.74) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL20069099 0.82 CYP1A2 (0.74) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL21688752 0.82 CYP1A2 (0.56) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL12648664 0.82 TDP1 (0.67) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL10749123 0.82 TDP1 (0.67) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL30673515 0.79 CYP1A2 (0.67) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL18908562 0.77 CYP1A2 (0.71) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL13953865 0.77 KMT2A (0.69) KMT2ATDP1CYP1A2ADRB2ADRB1
SCHEMBL15608432 0.75 CYP1A2 (0.74) KMT2ATDP1CYP1A2ADRB2ADRB1

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-9572892-B2 Polymer conjugate for delivery of a bioactive agent POLYACTIVA PTY LTD (AU) 2017-02-21 US disclosed