SCHEMBL9565084

SCHEMBL9565084

c1coc(Cn2c(NC3CCN(CCCCCNc4nccs4)CC3)nc3cncnc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 3/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALPL P05186 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MTOR P42345 1/20 0.32
HTT P42858 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
SSTR5 P35346 1/20 0.31
HCRTR2 O43614 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
SCHEMBL9866300 0.87 MAPT (0.34) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL10506487 0.81 SSTR5 (0.46) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL9564954 0.79 SSTR5 (0.47) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL9564906 0.79 SSTR5 (0.39) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL9564789 0.76 NR4A2 (0.42) KCNH2MAPTALDH1A1MEN1KMT2A
Water SCHEMBL9564807 0.75 NR4A2 (0.42) KCNH2MAPTALDH1A1MEN1KMT2A
Water SCHEMBL9564806 0.75 NR4A2 (0.42) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL10622081 0.74 ALDH1A1 (0.36) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL10509052 0.73 SSTR5 (0.51) KCNH2MAPTMEN1KMT2AGAA
SCHEMBL1152440 0.73 HPGD (0.38) KCNH2MAPTALDH1A1MEN1KMT2A

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-5258380-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1993-11-02 US disclosed