SCHEMBL12927232

SCHEMBL12927232

N[C@@H](c1ccccc1)[C@H](c1ccccc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.53
DPP4 P27487 3/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
METAP2 P50579 2/20 0.39
CHRM3 P20309 1/20 0.39
METAP1 P53582 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 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
SCHEMBL4610367 0.82 IDO1 (0.55) IDO1DPP4MEN1KMT2AGAA
SCHEMBL16191153 0.80 GAA (0.53) IDO1MEN1KMT2AGAAL3MBTL1
SCHEMBL182619 0.78 IDO1 (0.58) IDO1DPP4MEN1KMT2AGAA
SCHEMBL20721161 0.78 IDO1 (0.58) IDO1DPP4MEN1KMT2AGAA
SCHEMBL2677265 0.78 IDO1 (0.58) IDO1DPP4MEN1KMT2AGAA
SCHEMBL24742273 0.78 IDO1 (0.58) IDO1DPP4MEN1KMT2AGAA
SCHEMBL24741625 0.78 IDO1 (0.58) IDO1DPP4MEN1KMT2AGAA
SCHEMBL6387473 0.78 HRH1 (0.48) IDO1MEN1KMT2AGAAL3MBTL1
SCHEMBL30566992 0.77 IDO1 (0.49) IDO1DPP4MEN1KMT2AGAA
SCHEMBL7261616 0.77 MEN1 (0.47) IDO1DPP4MEN1KMT2AGAA

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
US-7868174-B2 Form of a benzenesulfonamide derivative PLIVA-ISTRAZIVANJE I RAZVOJ D.O.O. (HR) 2011-01-11 US disclosed