SCHEMBL9850508

SCHEMBL9850508

CCc1ccc2ccccc2c1NC(=O)CNC(C)Nc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ANPEP P15144 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KCNJ11 Q14654 3/20 0.40
ABCC9 O60706 2/20 0.40
ABCC8 Q09428 2/20 0.40
KCNJ8 Q15842 2/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL9850515 0.78 CA12 (0.51) TAOK1ALDH1A1HPGDEPHX1MAPT
SCHEMBL9850502 0.74 KMT2A (0.45) ALDH1A1HPGDEPHX1MAPTKMT2A
SCHEMBL9850454 0.73 CYP2C19 (0.58) ALDH1A1HPGDANPEPEPHX1MAPT
SCHEMBL11517897 0.73 MEN1 (0.47) ALDH1A1HPGDKMT2AMEN1KCNJ11
SCHEMBL3931602 0.70 ANPEP (0.50) ALDH1A1HPGDANPEPEPHX1MAPT
SCHEMBL18891775 0.70 KCNJ11 (0.42) ALDH1A1KMT2AMEN1KCNJ11ABCC9
SCHEMBL9850467 0.68 CA12 (0.44) ALDH1A1HPGDANPEPCYP1A2KDM4E
SCHEMBL23077764 0.67 CA12 (0.50) ALDH1A1HPGDANPEPEPHX1MAPT
SCHEMBL776594 0.67 KCNJ11 (0.63) ALDH1A1HPGDEPHX1MAPTCYP1A2
SCHEMBL8171726 0.66 NCEH1 (0.44) ALDH1A1MAPTCYP1A2CYP2C19KCNJ11

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
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed