SCHEMBL27775969

SCHEMBL27775969

CC1(C)CC(CCCCNc2ncncn2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SLC2A1 P11166 1/20 0.31

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
SCHEMBL27775489 0.99 TSHR (0.35) TSHRKDM4ELMNAGAAALDH1A1
SCHEMBL8627875 0.91 TSHR (0.31) TSHR
SCHEMBL11168811 0.84 TSHR (0.36) TSHRKDM4ELMNAGAA
SCHEMBL27717300 0.83 TSHR (0.33) TSHR
SCHEMBL9367808 0.82 TSHR (0.36) TSHRKDM4ELMNAGAASLC2A1
SCHEMBL3952306 0.79 TSHR (0.30) TSHR
SCHEMBL9861681 0.78 KCNH3 (0.38) TSHRKDM4EGAAALDH1A1
SCHEMBL711949 0.78 KMT2A (0.43) TSHRLMNA
SCHEMBL11203654 0.78 HTR7 (0.34) TSHRKDM4ELMNAALDH1A1
SCHEMBL692463 0.78 KMT2A (0.40) TSHRLMNA

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
CN-101522813-A Resin composition and molded article obtained from the composition MITSUI CHEMICALS INC (JP) 2009-09-02 CN disclosed