SCHEMBL13618587

SCHEMBL13618587

O=C1CCn2c1cc1ccccc1c2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.49
PIM1 P11309 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CYP1A2 P05177 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
CFTR P13569 1/20 0.41
ALOX15 P16050 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
GOPC Q9HD26 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A1 P04798 5/20 0.38
CYP1B1 Q16678 5/20 0.38

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
SCHEMBL7292520 0.81 MAPT (0.46) PABPC1PIM1BCHEACHECYP1A2
SCHEMBL9259549 0.79 HTR2A (0.44) PABPC1L3MBTL1KMT2A
SCHEMBL24753891 0.76 BCHE (0.69) BCHEACHECYP1A2ALDH1A1KDM4E
SCHEMBL31268135 0.76 BCHE (0.69) BCHEACHECYP1A2ALDH1A1KDM4E
SCHEMBL7511365 0.72 ALDH1A1 (0.51) PABPC1BCHEACHECYP1A2ALDH1A1
SCHEMBL7515373 0.71 KMT2A (0.51) PABPC1BCHEACHECYP1A2ALDH1A1
SCHEMBL30763626 0.71 KMT2A (0.51) PABPC1BCHEACHECYP1A2ALDH1A1
SCHEMBL11235412 0.71 ALDH1A1 (0.43) PIM1BCHEACHECYP1A2ALDH1A1
SCHEMBL7512405 0.70 KMT2A (0.54) BCHEACHECYP1A2ALDH1A1KDM4E
SCHEMBL29639171 0.70 RAB9A (0.48) PIM1ACHEALDH1A1KDM4EHSD17B10

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-2009140467-A1 OXOBENZINDOLIZINOQUINOLINES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2009-11-19 WO disclosed