SCHEMBL20037873

SCHEMBL20037873

CCCOCCNCc1ccc(I)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAD52 P43351 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ S1PR2 O95136 2/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ LPAR2 Q9HBW0 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL20037908 0.83 L3MBTL1 (0.50) KDM4ERAD52PAX8CD274DRD4
SCHEMBL20037937 0.81 HRH4 (0.39) KDM4ELMNATDP1HRH4HRH3
SCHEMBL23105108 0.75 L3MBTL1 (0.47) KDM4ELMNARAD52PAX8TDP1
SCHEMBL23105182 0.74 LMNA (0.59) KDM4ELMNARAD52PAX8TDP1
SCHEMBL12976234 0.73 KDM4E (0.48) KDM4ELMNARAD52PAX8TDP1
SCHEMBL14747737 0.73 KDM4E (0.48) KDM4ELMNARAD52PAX8TDP1
SCHEMBL14036603 0.72 KDM4E (0.72) KDM4ELMNARAD52PAX8S1PR2
SCHEMBL14213771 0.71 KDM4E (0.39) KDM4ELMNARAD52PAX8S1PR2
SCHEMBL20255422 0.71 CHRNB2 (0.37) LMNAHRH4HRH3L3MBTL1
SCHEMBL14182593 0.70 KDM4E (0.38) KDM4ELMNARAD52PAX8TDP1

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-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP disclosed
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