SCHEMBL22308307

SCHEMBL22308307

CC(C)(C)c1nc2c(o1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
ELANE P08246 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
SCHEMBL10216233 0.96 HPGD (0.38) HPGDATMTDP1KDM4EPOLB
SCHEMBL20333664 0.78 CHRM5 (0.33) HPGD
SCHEMBL21451244 0.77
SCHEMBL20329007 0.73 HTR2A (0.35) HPGDELANE
SCHEMBL20329006 0.73 CHRM3 (0.33) ELANE
SCHEMBL22308306 0.72 CHRM3 (0.34)
SCHEMBL6095288 0.62 CYP3A4 (0.52) TDP1KDM4E
SCHEMBL15088459 0.62 ACHE (0.30)
SCHEMBL959780 0.62 ACHE (0.30)
SCHEMBL9846265 0.60 ALDH1A1 (0.32)

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
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed