SCHEMBL25027804

SCHEMBL25027804

c1ccc(N(c2cccnc2)c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
KCNA5 P22460 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 3/20 0.35
RAD52 P43351 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
CYP11B1 P15538 1/20 0.34
KCNN4 O15554 1/20 0.34
GSK3B P49841 3/20 0.34
CYP1A2 P05177 3/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR5 P51681 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL25028185 0.96 MAPT (0.34) ALDH1A1KDM4EMAPTLMNAKCNA5
SCHEMBL23085058 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTLMNAKCNA5
SCHEMBL13304243 0.88 KCNA5 (0.40) ALDH1A1KDM4EMAPTKCNA5PTGDR2
SCHEMBL25028087 0.87 CYP1A2 (0.36) ALDH1A1KDM4EMAPTKMT2ACYP1A2
SCHEMBL4026976 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTCYP1A2THRB
SCHEMBL13899997 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTKMT2ACYP1A2
SCHEMBL16484731 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNAKCNA5
SCHEMBL2267716 0.84 CYP1A2 (0.36) ALDH1A1KDM4EMAPTKCNA5PTGDR2
SCHEMBL23085072 0.84 MAPK14 (0.30)
SCHEMBL18382439 0.82 KCNA5 (0.41) KDM4EKCNA5PTGDR2KMT2ARAD52

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-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed