SCHEMBL9850515

SCHEMBL9850515

CCc1ccc2ccccc2c1NC(=O)CNCCNc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
EPHX1 P07099 1/20 0.44
TAOK1 Q7L7X3 1/20 0.43
BCHE P06276 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42

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
Hydrochloric Acid SCHEMBL9850520 0.81 CA12 (0.56) CA12CA4CA7CA9CA14
SCHEMBL9850508 0.78 TAOK1 (0.43) CA12CA14EPHX1TAOK1ALDH1A1
SCHEMBL9850502 0.77 KMT2A (0.45) CA12CA4CA7CA9CA14
SCHEMBL11517897 0.74 MEN1 (0.47) ALDH1A1HPGDABCC9ABCC8KCNJ11
SCHEMBL9850460 0.72 CYP1A2 (0.58) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL9850486 0.72 CA12 (0.45) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL9850536 0.70 ALDH1A1 (0.70) CA12CA4CA7CA9CA14
SCHEMBL11283741 0.70 CA12 (0.77) CA12CA4CA7CA9CA14
SCHEMBL11882576 0.69 CA12 (1.00) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL4443499 0.68 ALDH1A1 (0.78) CA12CA4CA7CA9CA14

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