SCHEMBL24312416

SCHEMBL24312416

C=C(CCC)NCCCCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.49
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CASP2 P42575 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PAOX Q6QHF9 1/20 0.40
EPHX2 P34913 2/20 0.35
EPHX1 P07099 2/20 0.35
KDM4A O75164 5/20 0.35
KDM4C Q9H3R0 5/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35

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
SCHEMBL25734114 1.00 DNM1 (0.49) DNM1ALDH1A1TSHRTHRATHRB
SCHEMBL25629223 0.92 DNM1 (0.51) DNM1ALDH1A1TSHRTHRATHRB
SCHEMBL22072274 0.85 ALDH1A1 (0.44) DNM1ALDH1A1TSHRTHRATHRB
SCHEMBL22448848 0.84 DNM1 (0.47) DNM1ALDH1A1THRATHRBKDM4E
SCHEMBL23791993 0.84 DNM1 (0.65) DNM1THRATHRBCASP2PAOX
SCHEMBL19823328 0.82 TDP1 (0.44) DNM1ALDH1A1TSHRTHRATHRB
SCHEMBL24507280 0.82 CASP2 (0.57) ALDH1A1TSHRCASP2EPHX1
SCHEMBL22838207 0.82 CASP2 (0.57) ALDH1A1TSHRCASP2EPHX1
SCHEMBL24982530 0.82 CASP2 (0.57) ALDH1A1TSHRCASP2EPHX1
SCHEMBL19578063 0.82 CASP2 (0.57) ALDH1A1TSHRCASP2EPHX1

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-3960242-A1 CONJUGATE AND CANCER THERAPEUTIC AGENT Tokyo Institute of Technology (JP) 2022-03-02 EP disclosed