SCHEMBL9820890

SCHEMBL9820890

CNC1c2c(O)c(NC(C)=O)cc(C)c2C2CCCCC21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL9820587 0.81 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL9820635 0.76 KDM4E (0.33) KMT2AMAPT
SCHEMBL9820794 0.73 ALDH1A1 (0.33) ALDH1A1HPGDGAAKMT2ANPC1
SCHEMBL9820596 0.72
Hydrochloric Acid SCHEMBL9820708 0.71
Hydrochloric Acid SCHEMBL9820724 0.71
SCHEMBL9820668 0.71 GAA (0.32) ALDH1A1HPGDGAAKMT2ANPC1
Hydrochloric Acid SCHEMBL9820595 0.68 POLB (0.31) POLB
SCHEMBL9820734 0.68 CYP1A2 (0.34)
SCHEMBL9820704 0.66 CYP1A2 (0.33)

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