SCHEMBL8936138

SCHEMBL8936138

C[C@H]1C[C@H](NCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
STS P08842 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NAMPT P43490 1/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.40
BACE1 P56817 1/20 0.40
FUCA1 P04066 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 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
SCHEMBL27495681 0.88 TACR1 (0.49) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL4388576 0.87 AGTR2 (0.48) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL12527124 0.87 FUCA1 (0.45) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL1224618 0.86 SRC (0.46) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL16876696 0.85 KMT2A (0.44) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL24538202 0.85 MMP2 (0.47) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL2824741 0.85 MMP2 (0.47) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL13841901 0.85 MMP2 (0.47) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL12166250 0.85 MMP2 (0.47) KMT2AL3MBTL1JAK2JAK1STS
SCHEMBL30404918 0.82 ALDH1A1 (0.48) KMT2AL3MBTL1CA1ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659178-A4 CHIRAL QUINOLONE INTERMEDIATES. ABBOTT LAB (US) 1996-03-27 EP disclosed
EP-0659178-A1 CHIRAL QUINOLONE INTERMEDIATES ABBOTT LABORATORIES (US) 1995-06-28 EP disclosed
WO-1994006766-A1 CHIRAL QUINOLONE INTERMEDIATES ABBOTT LABORATORIES (US) 1994-03-31 WO disclosed
US-5252747-A Chiral quinolone intermediates ABBOTT LABORATORIES (US) 1993-10-12 US disclosed