SCHEMBL9820635

SCHEMBL9820635

CNC1c2c(O)c(C3CCCCC3)cc(C)c2C2CCCCC21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
NUDT1 P36639 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL9820890 0.76 ALDH1A1 (0.31) MAPTKMT2A
SCHEMBL9820596 0.75
Hydrochloric Acid SCHEMBL9820708 0.74
Hydrochloric Acid SCHEMBL9820724 0.74
Hydrochloric Acid SCHEMBL9820856 0.71 CYP1A2 (0.36) MEN1KMT2A
Hydrochloric Acid SCHEMBL9820595 0.70 POLB (0.31)
SCHEMBL9820734 0.70 CYP1A2 (0.34)
SCHEMBL11705589 0.69 KDM4E (0.38) KDM4EMEN1MAPTKMT2AJAK2
SCHEMBL9820704 0.68 CYP1A2 (0.33)
SCHEMBL11310170 0.68 KDM4E (0.36) KDM4EMEN1MAPTKMT2ANUDT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed