SCHEMBL20032532

SCHEMBL20032532

CCCc1cc(N)nc(CC(CC)NCC(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.35
NOS1 P29475 4/20 0.35
NOS3 P29474 3/20 0.35
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31
GABRG3 Q99928 2/20 0.31
GABRQ Q9UN88 2/20 0.31
EGLN1 Q9GZT9 2/20 0.31

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
SCHEMBL19214754 0.93 NOS2 (0.38) NOS2NOS1NOS3GABRPGABRD
SCHEMBL19214757 0.79 SIGMAR1 (0.33)
SCHEMBL20032530 0.78 TAS1R3 (0.34)
SCHEMBL20661538 0.78 SMN1; SMN2 (0.41)
SCHEMBL20661543 0.77 CPB2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20032170 0.72 KDM4E (0.39)
SCHEMBL19214753 0.72 EGLN1 (0.35) EGLN1
SCHEMBL19214755 0.70 EGLN1 (0.39) EGLN1
SCHEMBL20661460 0.69 NOS2 (0.44) NOS2NOS1NOS3
SCHEMBL20032534 0.69 TSHR (0.39)

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed