SCHEMBL28677702

SCHEMBL28677702

CCNC(=O)Cn1cccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.51
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 6/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 4/20 0.46
TSHR P16473 3/20 0.45
CYP1A2 P05177 3/20 0.45
HTT P42858 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL7919869 0.78 HPGD (0.49) HPGDGAAALDH1A1MAPK1LMNA
SCHEMBL7549991 0.77 ALDH1A1 (0.52) HPGDGAAALDH1A1MAPK1LMNA
SCHEMBL19022012 0.76 GLS (0.47) LMNATSHR
SCHEMBL8429681 0.75 ALDH1A1 (0.61) ALDH1A1HTTKDM4E
SCHEMBL7530193 0.71 HPGD (0.71) HPGDGAAPOLBTSHRHTT
SCHEMBL463115 0.71
SCHEMBL2876964 0.71
SCHEMBL7324404 0.71 ALDH1A1 (0.50) HPGDALDH1A1MAPK1LMNAMAPT
SCHEMBL27807834 0.70 KMT2A (0.50) GAAALDH1A1MAPTPOLBHTT
SCHEMBL10390356 0.70 TDP1 (0.43) HPGDGAAALDH1A1MAPK1LMNA

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-113811305-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2021-12-17 CN disclosed