SCHEMBL28117783

SCHEMBL28117783

NCc1ccc(-c2c(O)nc3ccccc3c2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
DHODH Q02127 7/20 0.48
PDE10A Q9Y233 6/20 0.47
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3743372 0.85 LMNA (0.71) LMNADHODHPDE10ATSHRCYP2D6
SCHEMBL16895273 0.82 LMNA (0.57) LMNADHODHPDE10ATSHR
SCHEMBL21451029 0.82 LMNA (0.57) LMNADHODHPDE10ATSHRKDM4E
SCHEMBL3737883 0.78 LMNA (0.54) LMNADHODHCYP2D6CYP2C19KDM4E
SCHEMBL28250898 0.76 LMNA (0.73) LMNADHODHPDE10ATSHRPOLB
SCHEMBL27651467 0.76 TAAR1 (0.55) LMNATSHRPOLBTAAR1KDM4E
SCHEMBL16039610 0.73 PRNP (0.47) LMNAPDE10ATSHRTAAR1CYP2D6
SCHEMBL3750345 0.73 DHODH (0.54) DHODHKDM4ENPC1ALDH1A1HPGD
SCHEMBL10467326 0.72 DHODH (0.59) LMNADHODHPDE10ATSHRCYP2D6
SCHEMBL28040025 0.72 KDM4E (0.56) LMNATSHRKDM4EALDH1A1HPGD

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
CN-106279021-A One class Antibiotic FR 901228 based on indeno quinolinone skeleton and its preparation method and application 中国人民解放军第二军医大学 2017-01-04 CN disclosed